727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|O<2>}	131.2410	0.000	1	131.2410	0.000	1	131.2410	0.000	1	131.2410	0.000	1	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	129.7130	0.000	1	129.7130	0.000	1	129.7130	0.000	1	129.3765	0.079	4	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	129.1575	0.136	2	129.1575	0.019	2	129.2643	0.044	3	129.3765	0.079	4	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]Si)(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](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]Si)(O){1|O<1>,3|C<3>}	129.4780	0.000	1	129.4780	0.000	1	129.2643	0.044	3	129.3765	0.079	4	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O)	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](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O){3|C<3>}	135.0970	0.000	1	135.0970	0.000	1	135.0702	1.080	6	135.0702	1.080	6	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O)	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](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O){3|C<3>}	135.0648	1.162	5	135.0648	1.349	5	135.0702	1.080	6	135.0702	1.080	6	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(O[5]C[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](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	130.1255	0.257	4	130.1255	0.066	4	130.1255	0.066	4	130.1255	0.066	4	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	131.1460	0.000	1	131.1460	0.000	1	131.1460	0.000	1	130.3862	0.538	11	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	130.4642	0.736	8	130.4642	0.542	8	130.3102	0.528	10	130.3862	0.538	11	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]N)(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](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]N)(O){1|C<4>,1|O<1>,2|C<3>}	129.6940	0.071	2	129.6940	0.005	2	130.3102	0.528	10	130.3862	0.538	11	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	129.4400	0.000	1	129.4400	0.000	1	129.4400	0.000	1	129.4400	0.000	1	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	128.8670	0.000	1	128.8670	0.000	1	128.8670	0.000	1	128.8670	0.000	1	131.1509	4.991	28	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	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[5,6a]-3:C[5,5]-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[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2)	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[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2){1|Si<4>,3|H<1>,6|C<3>}	134.7330	0.000	1	134.0825	0.846	2	134.0825	0.846	2	134.0825	0.846	2	134.0825	0.846	2	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	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[5,6a]-3:C[5,5]-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[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2)	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[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2){1|Si<4>,3|H<1>,6|C<3>}	133.4320	0.000	1	134.0825	0.846	2	134.0825	0.846	2	134.0825	0.846	2	134.0825	0.846	2	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	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:N[5,6]-3:C[6]-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])	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[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]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]){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[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	129.1030	0.000	1	129.1030	0.000	1	129.1030	0.000	1	129.1030	0.000	1	129.1030	0.000	1	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	130.8710	0.000	1	130.8710	0.000	1	130.8710	0.000	1	130.8710	0.000	1	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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[5]-2:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	131.6780	0.000	1	131.6780	0.000	1	131.6780	0.000	1	130.1676	3.268	8	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[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|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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	129.8010	0.000	1	129.1447	1.154	3	129.9519	3.378	7	130.1676	3.268	8	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<1>,3|C<3>}	129.7280	0.000	1	129.1447	1.154	3	129.9519	3.378	7	130.1676	3.268	8	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[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){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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	127.9050	0.000	1	129.1447	1.154	3	129.9519	3.378	7	130.1676	3.268	8	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[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|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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	129.1380	0.000	1	128.6785	0.422	2	129.9519	3.378	7	130.1676	3.268	8	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[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|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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	128.2190	0.000	1	128.6785	0.422	2	129.9519	3.378	7	130.1676	3.268	8	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	132.4390	0.000	1	132.4360	0.000	2	129.9519	3.378	7	130.1676	3.268	8	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	132.4330	0.000	1	132.4360	0.000	2	129.9519	3.378	7	130.1676	3.268	8	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Se[5]-2:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH)	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](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	126.4335	0.987	4	126.4335	0.975	4	126.1808	0.811	6	126.1808	0.811	6	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Se[5]-2:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3)	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](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3){1|C<4>,3|C<3>}	125.6755	0.602	2	125.6755	0.362	2	126.1808	0.811	6	126.1808	0.811	6	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(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){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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	134.6290	0.000	1	134.2031	0.159	9	134.2031	0.159	9	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(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){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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	134.5380	0.000	1	134.2031	0.159	9	134.2031	0.159	9	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(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){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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	134.2210	0.000	1	134.2031	0.159	9	134.2031	0.159	9	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(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){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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	134.2160	0.162	3	134.2031	0.159	9	134.2031	0.159	9	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(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){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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	133.6360	0.000	1	134.2031	0.159	9	134.2031	0.159	9	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(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){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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	134.0780	0.754	2	134.2031	0.159	9	134.2031	0.159	9	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O)	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](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	136.8160	0.000	1	136.8160	0.000	1	136.8160	0.000	1	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(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){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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(H){4|C<3>}	133.3640	0.000	1	133.3640	0.000	1	134.3183	0.607	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(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){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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H){6|C<3>}	134.3185	0.011	2	134.3185	0.000	2	134.3183	0.607	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]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){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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H){6|C<3>}	135.2720	0.000	1	135.2720	0.000	1	134.3183	0.607	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	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](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	134.8080	0.000	1	134.7980	0.318	4	134.7980	0.318	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	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](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	134.7947	0.690	3	134.7980	0.318	4	134.7980	0.318	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:H-1:	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](C[5,6a]C[6a,6a]C[5,6a])2(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){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](C[5,6a]C[6a,6a]C[5,6a])2(H){6|C<3>}	129.4248	0.361	12	129.4248	0.130	12	129.4248	0.130	12	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5,6]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[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](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	129.1470	0.000	1	129.1470	0.000	1	129.1470	0.000	1	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	130.0735	0.299	2	130.0735	0.089	2	130.0735	0.089	2	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	129.3568	0.223	4	129.3568	0.050	4	129.3568	0.050	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	130.6440	0.000	1	130.6440	0.000	1	130.6440	0.000	1	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	129.4970	0.211	2	129.4970	0.044	2	129.4970	0.044	2	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	130.0455	0.207	2	129.7190	0.322	4	130.1654	0.624	10	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	129.3925	0.705	2	129.7190	0.322	4	130.1654	0.624	10	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[6a,6a]C[5,6a])2(O)	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](C[5,6a]C[6a,6a]C[5,6a])2(O){6|C<3>}	130.5170	0.000	1	130.5170	0.000	1	130.1654	0.624	10	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	130.4522	0.910	5	130.4522	0.829	5	130.1654	0.624	10	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	130.1860	0.000	1	130.1860	0.000	1	130.1860	0.000	1	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(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>,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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	129.5490	0.000	1	129.5490	0.000	1	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	130.4230	0.000	1	130.4230	0.000	1	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(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|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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	127.8060	0.000	1	127.8060	0.000	1	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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){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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){6|C<3>}	128.2007	0.404	3	128.2007	0.163	3	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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|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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	133.3100	0.000	1	133.3100	0.000	1	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(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|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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<2>,4|C<3>}	130.6035	0.350	2	130.7413	0.118	3	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	131.0170	0.000	1	130.7413	0.118	3	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	129.8700	0.000	1	129.1194	0.403	8	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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>,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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){6|C<3>}	129.2060	0.000	1	129.1194	0.403	8	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	129.1620	0.000	1	129.1194	0.403	8	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	129.3365	0.793	2	129.1194	0.403	8	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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|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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|S<1>,5|C<3>}	128.0820	0.000	1	129.1194	0.403	8	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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>,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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|N<2>,5|C<3>}	128.5270	0.000	1	129.1194	0.403	8	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[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|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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	129.4350	0.000	1	129.1194	0.403	8	129.4927	1.910	18	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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[5]-3:H-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	131.9400	0.010	2	131.9400	0.000	2	131.9400	0.000	2	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H){3|C<3>}	130.1570	0.000	1	131.0005	1.423	2	128.7477	12.652	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H){3|C<3>}	131.8440	0.000	1	131.0005	1.423	2	128.7477	12.652	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(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){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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	129.3440	0.000	1	129.3440	0.000	1	128.7477	12.652	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H){5|C<3>}	123.6460	0.000	1	123.6460	0.000	1	128.7477	12.652	4	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	127.9440	0.442	3	127.9440	0.195	3	127.9001	1.392	8	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	129.9020	0.000	1	129.9020	0.000	1	127.9001	1.392	8	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(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](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	129.1350	0.000	1	129.1350	0.000	1	127.9001	1.392	8	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O){2|O<1>,3|C<3>}	126.8930	0.000	1	126.7773	0.018	3	127.9001	1.392	8	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O){2|O<1>,3|C<3>}	126.7195	0.124	2	126.7773	0.018	3	127.9001	1.392	8	130.5463	6.100	83	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[3x6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-2:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	131.0470	0.000	1	131.0470	0.000	1	131.0470	0.000	1	132.1082	1.745	6	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	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]-3:N-2:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a])	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a]){4|C<3>}	130.8660	0.000	1	130.8660	0.000	1	130.8660	0.000	1	132.1082	1.745	6	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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:C-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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	131.3000	0.000	1	131.3000	0.000	1	131.3000	0.000	1	132.1082	1.745	6	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-3:S-2:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC){1|O<1>,5|C<3>}	132.8570	0.000	1	132.8570	0.000	1	132.8570	0.000	1	132.1082	1.745	6	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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-3:N[5]-2:	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](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5])	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](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	133.2895	1.432	2	133.2895	2.050	2	133.2895	2.050	2	132.1082	1.745	6	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-3: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)	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH)	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH){4|C<3>}	134.4305	0.200	2	134.4305	0.040	2	134.4305	0.040	2	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-3:C[5,6a]-3:C[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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	137.2610	0.000	1	137.2610	0.000	1	137.2610	0.000	1	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-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](C[5,6a]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[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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	131.1140	0.000	1	130.9115	0.082	2	130.9115	0.082	2	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-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](C[5,6a]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[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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|O<2>,7|C<3>}	130.7090	0.000	1	130.9115	0.082	2	130.9115	0.082	2	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	131.4320	0.187	2	131.4320	0.035	2	131.4320	0.035	2	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	133.6940	0.000	1	133.6940	0.000	1	133.6940	0.000	1	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5,5a]-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](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	131.1020	0.000	1	131.1020	0.000	1	131.1020	0.000	1	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2){10|C<3>}	131.7605	0.049	2	131.7605	0.002	2	131.7053	0.010	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	131.5950	0.000	1	131.5950	0.000	1	131.7053	0.010	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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-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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|H<1>,5|C<3>}	131.1620	0.000	1	130.9455	0.094	2	131.8933	2.742	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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-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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|Ir<8>,5|C<3>}	130.7290	0.000	1	130.9455	0.094	2	131.8933	2.742	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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-3:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|O<2>,4|C<3>}	133.7890	0.000	1	133.7890	0.000	1	131.8933	2.742	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(COO)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(COO){3|C<3>}	136.8890	0.000	1	136.8890	0.000	1	136.8890	0.000	1	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-3:N-3:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS){2|H<1>,3|C<3>}	132.1240	0.000	1	132.1240	0.000	1	132.1240	0.000	1	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5]-3:C-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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	133.4150	0.113	2	133.4150	0.013	2	133.5797	0.088	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5]-3:C-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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO){1|H<1>,3|C<3>}	133.9090	0.000	1	133.9090	0.000	1	133.5797	0.088	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-3:C-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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	133.8500	0.000	1	133.8500	0.000	1	132.0470	6.502	2	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-3: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)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){4|C<3>}	130.2440	0.000	1	130.2440	0.000	1	132.0470	6.502	2	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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]-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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C){8|C<3>}	130.3150	0.000	1	130.3150	0.000	1	130.3150	0.000	1	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[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](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|H<1>,6|C<3>}	130.7230	0.000	1	131.1603	0.222	3	131.1603	0.222	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[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](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	131.3790	0.396	2	131.1603	0.222	3	131.1603	0.222	3	132.4632	3.602	26	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[3x6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])2(CCHH)	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](C[5,6a]C[6a,6a]C[5,6a])2(CCHH){6|C<3>}	133.1605	0.128	2	133.1605	0.016	2	133.1605	0.016	2	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5]-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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(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){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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	132.6560	0.000	1	131.1940	4.275	2	131.4351	0.905	12	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5]-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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){1|C<4>,1|H<1>,7|C<3>}	129.7320	0.000	1	131.1940	4.275	2	131.4351	0.905	12	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5]-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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(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|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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	131.4833	0.784	10	131.4833	0.615	10	131.4351	0.905	12	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[6]-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](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(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]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](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	131.8770	0.066	2	131.8770	0.004	2	131.9500	0.018	3	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[6]-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](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(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]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](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO){2|H<1>,7|C<3>}	132.0960	0.000	1	132.0960	0.000	1	131.9500	0.018	3	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5,6a]-3:C[5,6]-3:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH){5|C<3>}	132.0885	0.295	2	132.0885	0.087	2	131.8963	0.181	4	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5,6a]-3:C[5,6]-3:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH){5|C<3>}	131.3120	0.000	1	131.3120	0.000	1	131.8963	0.181	4	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5,6a]-3:C[5,6]-3:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH){5|C<3>}	132.0960	0.000	1	132.0960	0.000	1	131.8963	0.181	4	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5,6a]-3:C[5]-3:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	137.0860	0.000	1	137.2905	0.084	2	136.0787	4.447	3	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5,6a]-3:C[5]-3:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	137.4950	0.000	1	137.2905	0.084	2	136.0787	4.447	3	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5,6a]-3:C[5]-3:C-4:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH){3|C<3>}	133.6550	0.000	1	133.6550	0.000	1	136.0787	4.447	3	132.3005	3.207	24	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5,5]-4:O-1:	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,5]C[5,6a]N[5,6]C[5])(O)	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,5]C[5,6a]N[5,6]C[5])(O){1|H<1>,3|C<4>,5|C<3>}	132.0730	0.000	1	132.0730	0.000	1	132.0730	0.000	1	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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]-4:O-1:	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O)	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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O){1|C<4>,5|C<3>}	131.5350	0.000	1	131.5350	0.000	1	131.5350	0.000	1	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5,5,6]-4:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]2H)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]2H)(O){2|H<1>,3|C<3>,3|C<4>}	128.1130	0.000	1	128.1130	0.000	1	128.1130	0.000	1	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O){2|O<2>,3|C<3>}	133.0400	0.000	1	133.0400	0.000	1	132.5530	0.511	3	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O){1|O<2>,4|C<3>}	132.3095	0.817	2	132.3095	0.667	2	132.5530	0.511	3	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O){1|H<1>,1|O<2>,3|C<3>}	129.1510	0.000	1	129.4077	0.101	3	130.9913	3.299	6	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	129.5360	0.322	2	129.4077	0.101	3	130.9913	3.299	6	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O){5|C<3>}	132.1210	0.095	2	132.1210	0.009	2	130.9913	3.299	6	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	133.4830	0.000	1	133.4830	0.000	1	130.9913	3.299	6	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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]-4:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	134.8035	0.278	2	134.1883	1.174	3	134.1883	1.174	3	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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]-4:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	132.9580	0.000	1	134.1883	1.174	3	134.1883	1.174	3	131.8595	4.021	15	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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-3:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H){3|C<3>}	134.8680	0.000	1	134.8680	0.000	1	134.8680	0.000	1	132.3137	4.894	3	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	C[5]	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[5]-3:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2){2|H<1>,9|C<3>}	131.0365	0.021	2	131.0365	0.000	2	131.0365	0.000	2	132.3137	4.894	3	131.1127	6.114	172	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:Se[5]-2:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5]){1|Br<1>,2|H<1>,4|C<3>}	131.1060	0.000	1	131.1060	0.000	1	131.1060	0.000	1	128.6129	5.786	14	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	129.6065	0.947	2	129.2608	0.419	5	128.3974	2.484	7	128.6129	5.786	14	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	128.7850	0.143	2	129.2608	0.419	5	128.3974	2.484	7	128.6129	5.786	14	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	129.5210	0.000	1	129.2608	0.419	5	128.3974	2.484	7	128.6129	5.786	14	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:Se[5]-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[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a]){1|H<1>,2|C<4>,4|C<3>}	126.2390	0.429	2	126.2390	0.184	2	128.3974	2.484	7	128.6129	5.786	14	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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:N[5,5]-3:S[5]-2:	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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5])(S[5]C[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5])(S[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	127.7460	0.000	1	127.7460	0.000	1	127.7460	0.000	1	128.6129	5.786	14	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:3:2:	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[5,5]-3:C[5]-2:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]){2|H<1>,3|C<3>}	132.5080	0.000	2	132.5080	0.000	2	132.5080	0.000	2	128.6129	5.786	14	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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:N[5,5]-3:O[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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	125.9770	0.958	3	125.9770	0.917	3	125.9770	0.917	3	128.6129	5.786	14	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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:F-1:	C[5,6a]-3:N[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|F<1>,6|C<3>}	132.2690	0.000	1	132.2690	0.000	1	132.2690	0.000	1	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5,6a]-3:N[5,5]-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[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)	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[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2){1|C<4>,3|H<1>,5|C<3>}	131.1965	0.050	2	131.1965	0.003	2	131.1965	0.003	2	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	133.4180	0.000	1	133.4180	0.000	1	132.7812	3.149	6	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	132.6970	0.776	2	132.6970	0.603	2	132.7812	3.149	6	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H){3|C<3>,5|H<1>}	133.2550	0.000	1	133.2550	0.000	1	132.7812	3.149	6	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C){1|H<1>,2|C<4>,3|C<3>}	134.9610	0.000	1	134.9610	0.000	1	132.7812	3.149	6	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5]){1|Se<1>,2|H<1>,7|C<3>}	129.6590	0.000	1	129.6590	0.000	1	132.7812	3.149	6	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C){1|N<4>,2|C<3>,4|H<1>}	133.5490	0.000	1	133.5490	0.000	1	133.5490	0.000	1	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:P[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(P[5]C[5,6a]C[6a])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(P[5]C[5,6a]C[6a]){1|H<1>,2|O<1>,6|C<3>}	128.9180	0.000	1	128.9180	0.000	1	128.9180	0.000	1	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	131.6770	0.000	1	131.6770	0.000	1	131.6770	0.000	1	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-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)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a,6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2)	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	131.8415	0.620	2	131.8415	0.385	2	131.5576	2.655	8	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2)	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	133.3545	0.168	2	133.3545	0.028	2	131.5576	2.655	8	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5])	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	132.7440	0.000	1	132.7440	0.000	1	131.5576	2.655	8	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5])	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	129.1410	0.000	1	129.1410	0.000	1	131.5576	2.655	8	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	130.0920	0.092	2	130.0920	0.008	2	131.5576	2.655	8	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2){4|C<3>,6|H<1>}	133.3670	0.262	2	133.3670	0.068	2	133.6387	0.474	4	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2){1|S<4>,3|H<1>,5|C<3>}	133.1830	0.000	1	133.1830	0.000	1	133.6387	0.474	4	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2){1|H<1>,2|C<4>,5|C<3>}	134.6380	0.000	1	134.6380	0.000	1	133.6387	0.474	4	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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:N[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H){1|C<4>,2|C<3>,4|H<1>}	130.3580	0.000	1	130.3580	0.000	1	130.3980	0.003	2	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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:N[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C)	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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	130.4380	0.000	1	130.4380	0.000	1	130.3980	0.003	2	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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:N[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a])	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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	130.5855	0.685	4	130.5855	0.469	4	130.5855	0.469	4	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	132.2490	0.000	1	132.2490	0.000	1	132.2490	0.000	1	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	133.9890	0.000	1	133.9890	0.000	1	133.9890	0.000	1	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	136.6090	0.000	1	136.6090	0.000	1	136.6090	0.000	1	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a]){1|H<1>,7|C<3>}	135.8980	0.000	1	135.8980	0.000	1	135.8830	0.303	4	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	135.8030	0.935	2	135.8780	0.454	3	135.8830	0.303	4	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	136.0280	0.000	1	135.8780	0.454	3	135.8830	0.303	4	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,6|C<3>}	141.4390	0.808	2	141.4390	0.652	2	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	137.3365	0.052	2	138.0407	0.403	18	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<4>,1|H<1>,6|C<3>}	138.4410	0.000	1	138.0407	0.403	18	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,6|C<3>}	138.3220	0.204	2	138.0407	0.403	18	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ni<7>,1|H<1>,6|C<3>}	137.7260	0.628	2	138.0407	0.403	18	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	138.1385	0.693	11	138.0407	0.403	18	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,6|C<3>}	137.2965	0.419	2	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Mo<6>,1|H<1>,6|C<3>}	136.2950	0.000	1	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Ga<4>,1|H<1>,1|I<1>,6|C<3>}	136.1550	0.235	2	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	136.9820	0.520	2	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,7|C<3>}	136.7180	0.403	2	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	137.2245	0.254	2	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	136.9855	0.153	6	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	137.1550	0.413	4	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|I<1>,6|C<3>}	136.0945	0.815	2	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|O<2>,6|C<3>}	136.0580	0.208	2	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){2|Fe<6>,1|H<1>,2|S<3>,6|C<3>}	135.6275	0.060	2	136.7089	0.362	27	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5]){3|Cl<1>,1|H<1>,1|O<3>,6|C<3>}	134.0655	0.279	2	134.0655	0.078	2	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	137.1520	1.819	14	137.1520	3.307	14	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5]){1|H<1>,6|C<3>}	136.8535	0.083	2	136.8535	0.007	2	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a]){1|H<1>,4|N<3>,6|C<3>}	135.0089	0.383	7	135.0089	0.147	7	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a]){1|H<1>,2|O<2>,6|C<3>}	135.7890	0.126	2	135.7890	0.016	2	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a]){1|Ga<4>,1|H<1>,1|O<2>,6|C<3>}	136.0805	0.535	2	136.0805	0.287	2	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:N[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a]){2|Cl<1>,1|H<1>,2|N<3>,6|C<3>}	134.9680	0.666	4	134.9680	0.443	4	136.8674	2.390	80	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5a]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]){1|H<1>,7|C<3>}	136.0310	0.000	1	136.0310	0.000	1	136.0310	0.000	1	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5,6a]-3:C[5,5]-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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])	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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5]){1|Si<4>,1|H<1>,1|O<1>,6|C<3>}	132.6705	0.421	2	132.6705	0.177	2	133.0092	0.618	6	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5,6a]-3:C[5,5]-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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])	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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]){1|Si<4>,1|H<1>,2|O<1>,5|C<3>}	132.3890	0.151	2	132.3890	0.023	2	133.0092	0.618	6	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5,6a]-3:C[5,5]-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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5])	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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5]){1|H<1>,3|C<4>,5|C<3>}	133.9680	0.225	2	133.9680	0.051	2	133.0092	0.618	6	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:C[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	132.9380	1.075	4	132.9380	1.155	4	132.9380	1.155	4	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]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){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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	129.9160	0.000	1	129.9160	0.000	1	129.6885	0.104	2	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]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){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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	129.4610	0.000	1	129.4610	0.000	1	129.6885	0.104	2	135.2049	7.428	130	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:Si[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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	127.9350	0.000	1	127.9350	0.000	1	127.5763	0.098	3	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-3:Si[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	127.3970	0.048	2	127.3970	0.002	2	127.5763	0.098	3	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-3:C[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH){3|H<1>,4|C<3>}	132.7627	0.257	4	132.7627	0.066	4	132.8062	0.051	6	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-3:C[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<3>}	132.8930	0.182	2	132.8930	0.033	2	132.8062	0.051	6	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-3:S[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO){1|C<4>,1|H<1>,5|C<3>}	128.1110	0.000	1	128.6390	0.558	2	128.6390	0.558	2	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-3:S[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO){1|H<1>,5|C<3>}	129.1670	0.000	1	128.6390	0.558	2	128.6390	0.558	2	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-3:Si[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|H<1>,1|O<1>,5|C<3>}	126.8920	0.153	2	127.0717	0.109	3	127.2897	0.263	4	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-3:Si[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	127.4310	0.000	1	127.0717	0.109	3	127.2897	0.263	4	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,5]-3:Si[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	127.9440	0.000	1	127.9440	0.000	1	127.2897	0.263	4	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5,6a]-3:C[3x5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)	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[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H){4|H<1>,6|C<3>}	132.1170	0.448	20	132.1170	0.200	20	132.1170	0.200	20	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,6a]-3:C[5]-3:C[5,5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C){2|C<4>,4|C<3>,5|H<1>}	132.7230	0.000	1	132.7230	0.000	1	132.7230	0.000	1	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:3:4:	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[5,5]-3:C[5]-4:	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH)	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|H<1>,5|C<3>}	137.5200	0.000	1	137.5200	0.000	1	137.5200	0.000	1	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:3:4:	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:C[5,5]-3:S[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	126.4020	0.000	1	126.4020	0.000	1	126.4020	0.000	1	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[5]-4:	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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)	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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2){10|C<3>,1|H<1>}	132.9610	0.000	1	132.9610	0.000	1	132.9610	0.000	1	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:S[5]-4:	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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)	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[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO){1|H<1>,6|C<3>}	133.0435	0.190	2	133.0435	0.036	2	133.0435	0.036	2	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:3:4:	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[5,5]-3:P[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO){1|H<1>,2|C<4>,4|C<3>}	126.3470	0.000	1	126.3470	0.000	1	125.8220	0.229	3	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:3:4:	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[5,5]-3:P[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O){1|H<1>,2|C<4>,6|C<3>}	125.5595	0.210	2	125.5595	0.044	2	125.8220	0.229	3	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:3:4:	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[5,5]-3:S[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	126.3100	0.000	1	126.3100	0.000	1	126.3100	0.000	1	130.8403	7.548	45	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a]){3|H<1>,6|C<3>}	133.0010	0.000	1	133.0010	0.000	1	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<2>,2|C<3>,2|O<2>,4|H<1>}	131.3550	0.000	1	131.3763	0.079	3	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	131.1060	0.000	1	131.3763	0.079	3	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){2|O<2>,3|C<3>,4|H<1>}	131.6680	0.000	1	131.3763	0.079	3	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	132.0770	0.000	1	132.0770	0.000	1	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	133.2675	1.730	2	133.2675	2.994	2	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[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>,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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H){1|S<4>,3|C<3>,4|H<1>}	133.0600	0.000	1	133.0600	0.000	1	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[5]-3:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	135.3690	0.000	1	135.3690	0.000	1	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-4:C[5]-3:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	128.7190	0.000	1	128.7190	0.000	1	132.2890	3.438	10	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	132.9005	0.170	2	132.9005	0.029	2	132.9005	0.029	2	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]P[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]P[5]){1|H<1>,1|O<1>,7|C<3>}	127.3230	0.000	1	127.3230	0.000	1	128.4920	2.733	2	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[5,5]C[5,6a]S[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,6|C<3>}	129.6610	0.000	1	129.6610	0.000	1	128.4920	2.733	2	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:4:3:	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[5,5]-4:C[5]-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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	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[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	136.4310	0.553	2	136.4310	0.306	2	136.4310	0.306	2	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[3x5]-4:C[5]-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[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]){1|C<4>,2|H<1>,6|C<3>}	131.5510	0.000	1	131.5510	0.000	1	131.5510	0.000	1	132.3581	6.148	17	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	3:4:4:	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[5,5]-4:C[5]-4:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	135.2180	0.000	1	135.2180	0.000	1	135.2180	0.000	1	135.2180	0.000	1	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5,6,6]-4:C[5,6a]-3:C[5]-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[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]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[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	131.8110	0.000	1	133.2793	2.675	3	133.2793	2.675	3	132.2862	3.805	8	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5,6,6]-4:C[5,6a]-3:C[5]-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[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]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[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	134.0135	1.455	2	133.2793	2.675	3	133.2793	2.675	3	132.2862	3.805	8	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5,6]-4:C[5,6a]-3:C[5]-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[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	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[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,9|C<3>}	133.6405	0.110	2	133.6405	0.012	2	133.6405	0.012	2	132.2862	3.805	8	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	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[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	131.9950	0.000	1	131.9950	0.000	1	130.3903	1.931	3	132.2862	3.805	8	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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[5,5]-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[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	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[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	129.5880	0.023	2	129.5880	0.001	2	130.3903	1.931	3	132.2862	3.805	8	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	5:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5,6]-5:C[5,6a]-3:C[5]-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[5,5](P[5,5,6]C[5,6a]C[6,6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl)	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[5,5](P[5,5,6]C[5,6a]C[6,6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl){1|H<1>,8|C<3>}	130.0140	0.000	1	130.0140	0.000	1	130.0140	0.000	1	130.3282	2.701	4	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	5:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[5]-3:	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[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	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[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){10|C<3>,1|H<1>}	130.7100	2.741	2	130.7100	7.512	2	130.4330	3.986	3	130.3282	2.701	4	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:1:	5:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[5]-3:	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[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl)	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[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl){1|H<1>,8|C<3>}	129.8790	0.000	1	129.8790	0.000	1	130.4330	3.986	3	130.3282	2.701	4	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:2:	3:4:3:	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[5,5]-4:C[5]-3:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5]){2|H<1>,2|O<2>,5|C<3>}	136.1210	0.000	1	136.1210	0.000	1	136.1210	0.000	1	136.1210	0.000	1	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:2:	4:3:3:	C[5,5]-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[5]-3:	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[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	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[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	135.6870	0.000	1	135.6870	0.000	1	135.8303	0.015	3	135.8303	0.015	3	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:2:	4:3:3:	C[5,5]-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[5]-3:	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[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	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[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	135.9020	0.000	2	135.9020	0.000	2	135.8303	0.015	3	135.8303	0.015	3	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	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:N[5,5]-3:O[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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	129.0880	0.000	1	129.0880	0.000	1	129.0880	0.000	1	129.0880	0.000	1	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,5]	3:3:3:	3:3:4:	3:4:3:	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[5,5]-4:C[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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	133.0970	0.000	1	133.0970	0.000	1	133.0970	0.000	1	133.0970	0.000	1	133.4921	11.826	225	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-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[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	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[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	130.8650	0.000	1	130.8650	0.000	1	130.6562	0.099	6	130.6562	0.099	6	132.3518	9.935	8	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-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[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	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[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	130.4683	0.070	4	130.6144	0.111	5	130.6562	0.099	6	130.6562	0.099	6	132.3518	9.935	8	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-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[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	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[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<1>,7|C<3>}	131.1990	0.000	1	130.6144	0.111	5	130.6562	0.099	6	130.6562	0.099	6	132.3518	9.935	8	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6,6]	3:3:3:	3:3:4:	3:3:4:	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[5,6,6]-3:C[3x6]-4:	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[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C)	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[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C){2|H<1>,4|C<4>,5|C<3>}	137.4385	0.226	2	137.4385	0.051	2	137.4385	0.051	2	137.4385	0.051	2	132.3518	9.935	8	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	130.4620	0.000	1	130.4620	0.000	1	130.4620	0.000	1	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	131.6440	0.819	2	131.6440	0.670	2	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	132.2720	0.000	1	132.5110	0.114	2	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	132.7500	0.000	1	132.5110	0.114	2	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	132.4850	0.000	1	132.4850	0.000	1	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	132.1847	1.093	3	132.1847	1.194	3	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	132.3480	0.000	1	132.3480	0.000	1	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	132.8595	0.508	2	132.8595	0.258	2	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6]){3|H<1>,5|C<3>}	131.7770	0.000	1	131.7770	0.000	1	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){2|C<3>,3|C<4>,5|H<1>}	130.8700	0.000	1	130.8700	0.000	1	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	128.8180	0.000	1	128.8180	0.000	1	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:O[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	128.0160	0.000	1	128.0160	0.000	1	131.6598	2.267	15	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:Se[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[6]){1|Se<2>,1|H<1>,3|C<3>}	127.9510	0.283	2	127.9510	0.080	2	127.9510	0.080	2	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	131.1270	0.419	2	131.1753	0.095	3	131.0388	1.341	11	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6]){1|H<1>,1|O<1>,2|C<3>,2|F<1>,2|N<3>}	131.2720	0.000	1	131.1753	0.095	3	131.0388	1.341	11	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	131.1123	0.393	3	131.1892	0.127	4	131.0388	1.341	11	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	131.4200	0.000	1	131.1892	0.127	4	131.0388	1.341	11	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	132.3740	0.000	1	132.3740	0.000	1	131.0388	1.341	11	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	131.4850	0.144	2	131.4850	0.021	2	131.0388	1.341	11	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a]){2|O<1>,3|H<1>,4|C<3>}	127.8000	0.000	1	127.8000	0.000	1	131.0388	1.341	11	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	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[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6]){1|H<1>,2|O<1>,5|C<3>}	129.3740	0.000	1	129.3740	0.000	1	129.3740	0.000	1	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	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:N[5,6]-3:N[6]-2:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	131.2970	0.659	2	131.2970	0.434	2	131.2970	0.434	2	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	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[5,6]-3:O[6]-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[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6])	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6]){1|Ga<4>,1|H<1>,2|N<3>,3|C<3>}	135.3830	0.000	1	135.3830	0.000	1	135.3830	0.000	1	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	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[5,6]-3:S[6]-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[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]S[6])(S[6]C[6])	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]S[6])(S[6]C[6]){1|H<1>,1|S<2>,4|C<3>}	136.1705	0.644	2	136.1705	0.415	2	136.1705	0.415	2	131.4966	4.070	35	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:Cl-1:	C[5,6a]-3:C[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C){1|Cl<1>,3|H<1>,5|C<3>}	134.2660	0.000	1	134.2660	0.000	1	134.2660	0.000	1	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6,6]-3:C[5,6a]-3:C[5,6]-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[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	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[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	133.0030	0.000	1	132.2750	1.060	2	132.2750	1.060	2	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6,6]-3:C[5,6a]-3:C[5,6]-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[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	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[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<1>,8|C<3>}	131.5470	0.000	1	132.2750	1.060	2	132.2750	1.060	2	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6,6a]-3:C[5,6a]-3:C[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H){2|C<4>,2|H<1>,4|C<3>}	130.8678	0.397	6	130.8678	0.157	6	130.8678	0.157	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-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[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	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[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	134.1945	0.507	2	133.8395	0.288	4	133.8395	0.288	4	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-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[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	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[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	133.4845	0.319	2	133.8395	0.288	4	133.8395	0.288	4	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	127.3370	0.000	1	127.3370	0.000	1	132.2753	7.587	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	131.7360	0.000	1	131.6780	0.007	2	132.2753	7.587	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	131.6200	0.000	1	131.6780	0.007	2	132.2753	7.587	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]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|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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br){1|H<1>,2|O<1>,5|C<3>}	133.8950	0.000	1	133.8950	0.000	1	132.2753	7.587	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	134.6290	0.000	1	134.6290	0.000	1	132.2753	7.587	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,7|C<3>}	134.4350	0.000	1	134.4350	0.000	1	132.2753	7.587	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	135.9275	0.251	2	135.9275	0.063	2	133.7017	3.088	11	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H){1|H<1>,1|O<1>,6|C<3>}	131.0610	0.000	1	131.0610	0.000	1	133.7017	3.088	11	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	134.5750	0.000	1	134.5750	0.000	1	133.7017	3.088	11	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3]){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	134.1800	0.000	2	134.1800	0.000	2	133.7017	3.088	11	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	132.5630	0.000	1	131.4885	2.309	2	133.7017	3.088	11	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	130.4140	0.000	1	131.4885	2.309	2	133.7017	3.088	11	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	134.4830	0.000	1	133.9637	0.203	3	133.7017	3.088	11	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	133.7040	0.035	2	133.9637	0.203	3	133.7017	3.088	11	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6,6a]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	133.3190	0.000	1	132.8540	0.432	2	132.8540	0.432	2	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6,6a]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|N<3>,5|C<3>,5|H<1>}	132.3890	0.000	1	132.8540	0.432	2	132.8540	0.432	2	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	133.4300	0.000	1	133.4300	0.000	1	133.4300	0.000	1	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-3:N[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|O<1>,3|H<1>,6|C<3>}	134.4200	0.000	1	134.4200	0.000	1	134.4200	0.000	1	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]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>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	126.5980	0.000	1	126.6944	0.338	12	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	127.2410	0.024	2	126.6944	0.338	12	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	126.5837	0.612	9	126.6944	0.338	12	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H){1|B<4>,2|H<1>,5|C<3>}	127.3990	0.000	1	128.0890	0.952	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H){2|Cl<1>,1|B<4>,2|H<1>,3|C<3>}	128.7790	0.000	1	128.0890	0.952	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	127.7758	0.491	4	127.7758	0.241	4	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	131.6890	0.000	1	132.5395	1.447	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>,2|N<3>}	133.3900	0.000	1	132.5395	1.447	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	131.8200	0.000	1	131.8200	0.000	1	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	132.4920	0.252	2	132.4920	0.063	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	131.5033	0.220	3	131.5033	0.048	3	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	131.8083	0.280	3	131.9648	0.136	8	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	131.9060	0.000	1	131.9648	0.136	8	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	131.7030	0.160	2	131.9648	0.136	8	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	132.4905	0.067	2	131.9648	0.136	8	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C){1|O<1>,2|H<1>,5|C<3>}	133.5460	0.614	2	133.5460	0.377	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	132.1890	0.000	1	132.1890	0.000	1	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	133.7260	0.000	1	133.9155	0.072	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	134.1050	0.000	1	133.9155	0.072	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6]){1|H<1>,1|O<1>,6|C<3>}	133.0970	0.000	1	133.0970	0.000	1	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	134.4500	0.000	1	134.4500	0.000	1	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	128.7235	0.125	2	128.7235	0.016	2	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	130.4310	0.000	1	130.4310	0.000	1	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	129.3960	0.707	4	128.8454	0.708	10	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	128.2527	0.499	3	128.8454	0.708	10	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	128.7040	1.013	3	128.8454	0.708	10	129.8281	6.499	54	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:N[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(N[6]C[6,6a]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(N[6]C[6,6a]H){1|H<1>,7|C<3>}	125.7050	0.000	1	125.7050	0.000	1	125.7050	0.000	1	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	134.1420	0.140	2	134.3053	0.090	3	134.3550	0.047	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	134.6320	0.000	1	134.3053	0.090	3	134.3550	0.047	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	134.5550	0.000	1	134.4047	0.021	3	134.3550	0.047	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	134.3910	0.000	1	134.4047	0.021	3	134.3550	0.047	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	134.2680	0.000	1	134.4047	0.021	3	134.3550	0.047	6	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	133.3710	0.000	1	133.3710	0.000	1	133.3710	0.000	1	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[6a](C[5,6a]N[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(H)	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O)	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O){4|C<3>,4|H<1>}	133.2020	0.006	2	133.2020	0.000	2	133.2020	0.000	2	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a])	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	136.2700	0.000	1	136.2700	0.000	1	136.2216	0.468	5	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a])	C[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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	136.4325	0.435	2	136.4325	0.189	2	136.2216	0.468	5	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6])	C[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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	136.8470	0.000	1	136.8470	0.000	1	136.2216	0.468	5	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6])	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	135.1260	0.000	1	135.1260	0.000	1	136.2216	0.468	5	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2{1|H<1>,2|C<4>,8|C<3>}	132.1580	0.000	1	132.1580	0.000	1	131.9135	0.120	2	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]){1|H<1>,2|O<1>,7|C<3>}	131.6690	0.000	1	131.6690	0.000	1	131.9135	0.120	2	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	130.2060	0.000	1	130.2060	0.000	1	129.7120	1.125	9	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,3|H<1>,5|C<3>}	128.5200	0.000	1	130.1835	5.534	2	129.7120	1.125	9	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,2|H<1>,5|C<3>}	131.8470	0.000	1	130.1835	5.534	2	129.7120	1.125	9	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	129.5620	0.226	2	129.5620	0.051	2	129.7120	1.125	9	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	130.1325	0.227	2	130.1325	0.052	2	129.7120	1.125	9	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	128.7230	0.566	2	128.7230	0.320	2	129.7120	1.125	9	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	126.6450	0.000	1	126.6450	0.000	1	126.9987	0.120	3	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:N[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	127.1755	0.230	2	127.1755	0.053	2	126.9987	0.120	3	131.2220	8.353	117	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	130.2330	0.088	2	130.2330	0.008	2	130.2330	0.008	2	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	131.5500	0.000	1	131.5500	0.000	1	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	130.2150	0.151	2	130.2150	0.023	2	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC){1|P<4>,4|C<3>,4|H<1>}	131.7820	0.000	1	131.7820	0.000	1	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,3|H<1>,5|C<4>}	131.1880	0.000	1	131.1880	0.000	1	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	133.6340	0.000	1	133.6340	0.000	1	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	133.2870	0.000	1	133.2870	0.000	1	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	134.2970	0.000	1	134.2970	0.000	1	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	134.4160	0.000	1	134.7037	0.135	3	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	134.5780	0.000	1	134.7037	0.135	3	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	135.1170	0.000	1	134.7037	0.135	3	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	133.8810	0.000	1	133.8810	0.000	1	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	137.0350	0.000	1	137.0350	0.000	1	133.1688	4.186	13	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-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[5,6]-4:	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[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C)	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[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	136.2370	0.629	4	136.2370	0.395	4	136.2370	0.395	4	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[5,6]-4:	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	134.5057	0.850	3	134.7880	0.789	5	134.7880	0.789	5	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	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[5,6]-3:C[5,6]-4:	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	135.2115	1.056	2	134.7880	0.789	5	134.7880	0.789	5	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	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[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	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[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	131.4680	0.113	2	131.4680	0.013	2	132.2283	0.777	4	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	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[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)	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[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	133.0500	0.000	1	133.0500	0.000	1	132.2283	0.777	4	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	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[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	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[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	132.9270	0.000	1	132.9270	0.000	1	132.2283	0.777	4	133.5522	4.605	28	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H){1|B<4>,3|H<1>,5|C<3>}	127.5140	0.000	1	127.5140	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	130.5460	0.000	1	130.5460	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]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|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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	129.7370	0.000	1	130.3150	0.177	5	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	130.4595	0.311	4	130.3150	0.177	5	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	131.8020	0.161	2	131.8020	0.026	2	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C){1|O<1>,3|H<1>,4|C<3>}	130.7800	0.000	1	130.7800	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	129.8580	0.000	1	130.1580	0.180	2	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	130.4580	0.000	1	130.1580	0.180	2	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	131.2885	0.135	2	131.1447	0.071	3	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	130.8570	0.000	1	131.1447	0.071	3	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P){2|C<3>,3|C<4>,5|H<1>}	131.2820	0.000	1	131.2820	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	131.4890	0.000	1	131.4890	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]Os)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]Os)(C[6]C[6]H){2|Os<5>,2|H<1>,3|C<3>}	131.0770	0.160	2	131.0770	0.026	2	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	131.7180	0.000	1	131.7180	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	130.8710	0.000	1	130.8710	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	131.9500	0.000	1	131.9500	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	131.1055	0.141	2	131.1055	0.020	2	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	132.6290	0.000	1	133.2740	0.252	5	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	132.8350	0.000	1	133.2740	0.252	5	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	133.6630	0.065	2	133.2740	0.252	5	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	133.5800	0.000	1	133.2740	0.252	5	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	130.9860	0.000	1	130.9860	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[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>,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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6]){1|C<4>,4|H<1>,6|C<3>}	133.7280	0.000	1	133.7280	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C){1|H<1>,3|C<4>,4|C<3>}	133.9390	0.000	1	133.9390	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H){4|H<1>,5|C<3>}	131.8050	0.000	1	131.8050	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	130.6940	0.000	1	130.6940	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-3:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	133.5990	0.000	1	133.5990	0.000	1	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	129.1260	0.110	2	129.1260	0.012	2	131.3194	2.059	37	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	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[5,6]-4:C[6]-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)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]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){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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	130.3000	0.000	1	130.3000	0.000	1	130.3000	0.000	1	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	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[5,6]-4:C[5,6]-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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6])	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]){2|H<1>,3|C<4>,6|C<3>}	134.6780	0.000	1	134.6780	0.000	1	134.6780	0.000	1	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	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[5,6]-4:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]){1|H<1>,3|O<1>,8|C<3>}	132.7775	0.252	2	132.7775	0.064	2	130.7164	2.830	11	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	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[5,6]-4:C[5,6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){3|H<1>,3|O<1>,6|C<3>}	132.2363	0.099	3	132.2363	0.010	3	130.7164	2.830	11	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	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[5,6]-4:C[5,6]-3:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	129.1040	0.143	2	129.2693	0.045	6	130.7164	2.830	11	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	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[5,6]-4:C[5,6]-3:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	129.3520	0.202	4	129.2693	0.045	6	130.7164	2.830	11	131.2335	2.416	50	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:5:3:	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[5,6]-5:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]AlC)(C[6]C[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|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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]AlC)(C[6]C[6]C){3|C<3>,3|H<1>}	132.6870	0.000	1	132.6870	0.000	1	132.6870	0.000	1	132.6870	0.000	1	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:2:	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:N[6]-2:	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[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6])	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[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	129.9620	0.000	1	129.9620	0.000	1	129.9620	0.000	1	129.9620	0.000	1	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,5,6]-4:C[5,6a]-3:C[6]-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[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]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[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){2|H<1>,2|O<2>,5|C<3>}	130.6745	0.541	2	130.6745	0.293	2	130.6745	0.293	2	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6,6]-4:C[5,6a]-3:C[6]-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[5,6](C[5,6,6]C[5,6]C[6,6]Ru)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[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[5,6](C[5,6,6]C[5,6]C[6,6]Ru)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	130.0800	0.000	1	130.0800	0.000	1	129.8910	0.071	2	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6,6]-4:C[5,6a]-3:C[6]-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[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]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[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	129.7020	0.000	1	129.7020	0.000	1	129.8910	0.071	2	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-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[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]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[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	129.7250	0.000	1	129.7250	0.000	1	130.2320	0.152	4	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[6]-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[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[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[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|O<2>,3|H<1>,6|C<3>}	130.4010	0.236	3	130.4010	0.056	3	130.2320	0.152	4	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:	P[6,6]-4:C[5,6a]-3:C[5,6]-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[5,6](P[6,6]C[5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]S[5])	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[5,6](P[6,6]C[5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]S[5]){1|H<1>,2|O<1>,7|C<3>}	129.1410	0.846	2	129.1410	0.715	2	129.1410	0.715	2	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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:	Si[5,6]-4:C[5,6a]-3:C[6]-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[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])	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[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,6|C<3>,7|H<1>}	127.2220	0.000	1	127.2220	0.000	1	127.2220	0.000	1	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-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[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a])	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[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a]){11|C<3>,1|H<1>}	134.8090	0.000	1	134.8090	0.000	1	134.8090	0.000	1	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6]-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[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	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[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	136.0840	0.000	1	136.0840	0.000	1	136.0350	0.040	3	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6]-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[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	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[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	136.0105	0.278	2	136.0105	0.077	2	136.0350	0.040	3	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,3x6]-4:C[5,6a]-3:C[6]-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[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	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[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	123.4050	0.000	1	123.4050	0.000	1	123.4050	0.000	1	130.8676	11.720	16	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	134.3200	0.000	1	134.3200	0.000	1	133.8375	0.466	2	133.8375	0.466	2	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-3:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	133.3550	0.000	1	133.3550	0.000	1	133.8375	0.466	2	133.8375	0.466	2	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	130.7610	0.000	1	130.7610	0.000	1	130.8763	0.166	3	130.8763	0.166	3	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5,6]	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[5,6]-4:C[6]-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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	130.9340	0.559	2	130.9340	0.312	2	130.8763	0.166	3	130.8763	0.166	3	131.5151	6.664	253	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	130.8100	0.000	1	130.8100	0.000	1	130.8100	0.000	1	129.5613	3.594	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	129.6240	0.000	1	129.6240	0.000	1	130.6890	0.920	3	129.5613	3.594	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	130.9580	0.000	1	130.9580	0.000	1	130.6890	0.920	3	129.5613	3.594	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	131.4850	0.000	1	131.4850	0.000	1	130.6890	0.920	3	129.5613	3.594	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>}	127.2455	0.168	2	127.2455	0.028	2	127.2455	0.028	2	129.5613	3.594	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(CH3)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(CH3){1|O<1>,1|O<2>,2|C<3>}	129.8680	0.000	1	129.8680	0.000	1	129.8680	0.000	1	129.8680	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,3|H<1>}	129.6870	0.000	1	129.6870	0.000	1	129.6870	0.000	1	129.6870	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	131.8290	0.000	1	131.8290	0.000	1	131.8290	0.000	1	131.8290	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:2:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	127.2010	0.000	1	127.2010	0.000	1	127.2010	0.000	1	127.2010	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[5,6a]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.1510	0.000	1	128.1510	0.000	1	128.1510	0.000	1	131.0411	2.231	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,4|C<3>}	131.3370	0.000	1	131.8070	0.201	3	131.8070	0.201	3	131.0411	2.231	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,4|C<3>}	132.0420	0.264	2	131.8070	0.201	3	131.8070	0.201	3	131.0411	2.231	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:S-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S){1|N<2>,1|O<1>,4|C<3>}	132.2500	0.000	1	132.2500	0.000	1	132.2500	0.000	1	131.0411	2.231	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	129.9510	0.000	1	129.9510	0.000	1	130.7330	1.223	2	131.0411	2.231	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	131.5150	0.000	1	131.5150	0.000	1	130.7330	1.223	2	131.0411	2.231	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|N<2>,1|O<1>,4|C<3>}	134.4320	0.000	1	134.4320	0.000	1	134.4320	0.000	1	134.4320	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	133.8310	0.000	1	133.8310	0.000	1	133.8310	0.000	1	131.3247	2.611	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	132.8900	0.000	1	132.8900	0.000	1	131.0435	1.515	4	131.3247	2.611	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	130.4280	0.002	3	130.4280	0.000	3	131.0435	1.515	4	131.3247	2.611	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	129.9430	0.000	1	129.9430	0.000	1	129.9430	0.000	1	131.3247	2.611	6	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:N[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CHH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	131.9630	0.000	1	131.9630	0.000	1	131.9630	0.000	1	131.9630	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-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)	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(O)	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](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(O){1|H<1>,1|O<2>,2|C<3>}	128.0555	0.398	2	128.0555	0.158	2	128.5577	0.413	4	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(O)	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](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(O){1|H<1>,1|O<2>,3|C<3>}	129.0600	0.267	2	129.0600	0.071	2	128.5577	0.413	4	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	130.6320	0.000	1	130.6320	0.000	1	131.0830	0.407	2	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,2|C<3>,2|H<1>}	131.5340	0.000	1	131.5340	0.000	1	131.0830	0.407	2	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O){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](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|H<1>,3|C<3>}	133.9950	0.000	1	133.9950	0.000	1	133.9950	0.000	1	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	127.4900	0.000	1	127.4900	0.000	1	129.0654	0.596	9	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|H<1>,3|C<3>}	128.0700	0.000	1	129.2624	0.282	8	129.0654	0.596	9	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	129.4327	0.241	7	129.2624	0.282	8	129.0654	0.596	9	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	130.4400	0.158	2	130.1860	0.206	3	130.3958	0.294	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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<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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	129.6780	0.000	1	130.1860	0.206	3	130.3958	0.294	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	130.7105	0.658	2	130.7105	0.433	2	130.3958	0.294	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,1|O<1>,2|C<3>}	130.4314	0.344	16	130.4314	0.118	16	130.3845	0.148	17	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,2|C<3>,2|H<1>}	129.6340	0.000	1	129.6340	0.000	1	130.3845	0.148	17	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|Cl<1>,4|C<3>}	131.1460	0.000	1	131.1460	0.000	1	131.0187	0.012	3	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>}	130.9550	0.004	2	130.9550	0.000	2	131.0187	0.012	3	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:Cl-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){2|Cl<1>,1|H<1>,2|C<3>}	132.8910	0.000	1	132.8910	0.000	1	133.7315	0.683	4	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:Cl-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){1|H<1>,3|C<3>}	134.4205	0.325	2	134.0117	0.554	3	133.7315	0.683	4	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:Cl-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){2|Cl<1>,1|H<1>,2|C<3>}	133.1940	0.000	1	134.0117	0.554	3	133.7315	0.683	4	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(H){1|C<4>,1|H<1>,3|C<3>}	132.7970	0.000	1	132.7970	0.000	1	132.7970	0.000	1	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	129.6740	0.506	2	130.3413	2.713	4	128.8082	0.448	78	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	132.7550	0.000	1	130.3413	2.713	4	128.8082	0.448	78	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|H<1>,1|S<2>,3|C<3>}	129.2620	0.000	1	130.3413	2.713	4	128.8082	0.448	78	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	128.7560	0.000	1	128.7253	0.226	74	128.8082	0.448	78	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O){1|H<1>,2|C<3>,2|O<1>}	128.7249	0.478	73	128.7253	0.226	74	128.8082	0.448	78	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:H-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(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](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	127.1410	0.000	1	127.1410	0.000	1	127.4964	0.054	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:H-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	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](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>}	127.7010	0.017	2	127.5853	0.019	4	127.4964	0.054	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:H-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(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](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	127.4695	0.049	2	127.5853	0.019	4	127.4964	0.054	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(N)	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](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(N){1|H<1>,2|C<3>,2|O<1>}	126.6030	0.000	2	126.6030	0.000	2	126.6030	0.000	2	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]As[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](C[5,6a]C[5,6a]C[6a])(O[5]As[5])(O){1|H<1>,1|O<2>,2|C<3>}	122.6570	0.000	1	122.6570	0.000	1	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O){1|C<4>,1|H<1>,3|C<3>}	129.3295	0.176	2	129.3295	0.031	2	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.8410	0.000	1	129.6195	0.179	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.3905	0.310	4	129.6195	0.179	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,1|N<3>,3|C<3>}	129.9290	0.000	1	129.6195	0.179	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,1|O<2>,3|C<3>}	130.3290	0.000	1	129.6195	0.179	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,4|C<3>}	129.2950	0.000	1	129.6195	0.179	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.9490	0.000	1	127.9490	0.000	1	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.1370	0.000	1	129.4871	0.481	47	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	129.2385	0.503	2	129.4871	0.481	47	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	129.4973	0.737	40	129.4871	0.481	47	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	129.8230	0.000	1	129.4871	0.481	47	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	129.5227	0.390	3	129.4871	0.481	47	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	129.1370	0.000	1	128.7140	0.358	2	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	128.2910	0.000	1	128.7140	0.358	2	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	128.7240	0.000	1	128.7240	0.000	1	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	128.7270	0.000	1	128.8475	0.029	2	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.9680	0.000	1	128.8475	0.029	2	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	129.5270	0.000	1	129.5270	0.000	1	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	129.3925	0.313	2	129.3925	0.098	2	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	130.8465	0.244	2	129.5940	1.170	6	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	129.3955	0.149	2	129.5940	1.170	6	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	128.9460	0.000	1	129.5940	1.170	6	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	128.1340	0.000	1	129.5940	1.170	6	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	130.4850	0.000	1	129.9875	0.640	4	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	130.2965	0.486	2	129.9875	0.640	4	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	128.8720	0.000	1	129.9875	0.640	4	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	131.4655	0.412	2	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	129.7330	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.4970	0.034	2	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	129.4620	0.483	6	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	130.4110	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	130.0833	0.384	4	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	129.7060	0.453	2	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<2>,2|C<3>}	129.9700	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	128.6250	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	129.7181	0.391	44	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	130.8665	0.342	2	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	130.8080	0.004	2	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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<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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	130.2430	0.600	5	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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<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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	129.9710	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	129.8785	0.517	2	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	130.0235	0.173	2	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	129.5260	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	130.3100	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	130.7210	0.141	2	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	129.3430	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	129.3857	0.690	7	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,2|C<3>,2|H<1>}	129.7160	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	128.9000	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<3>,3|C<3>}	129.9380	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>}	129.8490	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	129.0734	0.724	10	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	129.4470	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	129.7445	0.504	11	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	129.2290	0.000	1	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,4|C<3>}	129.4355	0.779	6	129.7322	0.394	123	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	128.5445	0.192	2	128.5445	0.037	2	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	128.9730	0.000	1	128.9730	0.000	1	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	127.2190	0.136	2	128.0849	1.029	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	128.7632	0.569	4	128.0849	1.029	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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<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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	128.6870	0.000	1	128.0849	1.029	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,4|C<3>}	126.5010	0.000	1	128.0849	1.029	8	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|C<2>,1|H<1>,2|C<3>}	121.4870	0.000	1	122.4110	0.694	3	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]I[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](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,1|O<2>,2|C<3>}	123.1050	0.000	1	122.4110	0.694	3	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]I[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,2|C<3>,3|O<2>}	122.6410	0.000	1	122.4110	0.694	3	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O){1|H<1>,2|C<3>,2|C<4>}	123.1030	0.000	1	123.1030	0.000	1	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	130.2730	0.000	1	130.2730	0.000	1	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	132.8485	0.035	2	132.8485	0.001	2	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]P[3x5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]P[3x5])(O){1|H<1>,2|O<2>,4|C<3>}	125.0727	0.525	6	125.0727	0.276	6	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|H<1>,1|O<2>,4|C<3>}	125.3528	0.732	5	125.3528	0.535	5	129.2275	2.505	229	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(O){1|H<1>,4|C<3>}	124.4780	0.645	2	124.4780	0.416	2	124.4780	0.416	2	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:S-1:	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](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(S)	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](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(S){1|H<1>,4|C<3>}	125.2990	0.000	1	125.2990	0.000	1	124.2155	0.785	4	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:S-1:	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](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(S)	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](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(S){1|H<1>,4|C<3>}	124.5780	0.000	1	124.5780	0.000	1	124.2155	0.785	4	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:S-1:	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](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(S)	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](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(S){1|H<1>,2|C<3>}	123.4925	0.052	2	123.4925	0.003	2	124.2155	0.785	4	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	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]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O){1|H<1>,4|C<3>}	121.8370	0.000	1	121.8370	0.000	1	121.8370	0.000	1	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	129.2350	0.000	1	129.2350	0.000	1	129.2350	0.000	1	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	130.5700	0.260	2	129.8960	0.439	5	129.8960	0.439	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	129.4760	0.412	2	129.8960	0.439	5	129.8960	0.439	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	129.3880	0.000	1	129.8960	0.439	5	129.8960	0.439	5	129.1648	2.770	373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	132.1070	0.000	1	131.0768	0.663	5	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	130.8193	0.664	4	131.0768	0.663	5	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,1|N<2>,2|C<3>}	131.3576	1.816	24	131.3576	3.299	24	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	132.4743	0.646	8	132.3222	0.682	14	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	132.8113	0.235	3	132.3222	0.682	14	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	131.4277	1.124	3	132.3222	0.682	14	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]){1|H<1>,1|N<3>,2|C<3>}	133.1440	0.024	2	133.1440	0.001	2	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	131.8927	0.429	3	131.8927	0.184	3	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH){1|H<1>,1|N<3>,2|C<3>}	132.6093	0.234	3	132.6093	0.055	3	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,3|C<3>}	130.2850	0.000	1	130.2850	0.000	1	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]){1|H<1>,2|C<3>,2|O<1>}	129.3500	0.000	1	129.3500	0.000	1	131.6963	2.160	53	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC){1|C<4>,1|H<1>,3|C<3>}	133.2860	0.000	1	133.2860	0.000	1	130.1382	1.109	17	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	130.1531	0.377	7	130.1531	0.142	7	130.1382	1.109	17	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6])	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6]){1|H<1>,2|C<3>,2|O<1>}	129.7215	0.228	2	129.7215	0.052	2	130.1382	1.109	17	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a]){1|H<1>,2|C<3>,2|O<1>}	130.3558	0.118	5	130.3558	0.014	5	130.1382	1.109	17	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OCo)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OCo){1|H<1>,2|C<3>,2|O<1>}	128.6440	0.000	1	128.6440	0.000	1	130.1382	1.109	17	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(ONi)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(ONi){1|H<1>,2|C<3>,2|O<1>}	128.1250	0.000	1	128.1250	0.000	1	130.1382	1.109	17	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:S-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(SC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(SC){1|H<1>,3|C<3>}	133.2855	0.435	2	133.2855	0.189	2	131.2604	3.515	5	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:S-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a]){1|H<1>,2|C<3>,2|O<1>}	130.2740	0.000	1	130.2740	0.000	1	131.2604	3.515	5	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	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]-2:S-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SPd)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SPd){1|H<1>,2|C<3>,2|O<1>}	129.7285	0.037	2	129.7285	0.001	2	131.2604	3.515	5	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	129.6990	0.000	1	129.6990	0.000	1	130.9397	1.373	9	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|C<4>,2|C<3>,2|H<1>}	129.5960	0.000	1	129.9105	0.198	2	130.9397	1.373	9	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|H<1>,2|C<3>,2|C<4>}	130.2250	0.000	1	129.9105	0.198	2	130.9397	1.373	9	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN){1|H<1>,1|O<1>,2|C<3>}	131.3910	0.000	1	131.3910	0.000	1	130.9397	1.373	9	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS){1|C<4>,2|C<3>,2|H<1>}	130.6445	0.462	2	130.6893	0.113	3	130.9397	1.373	9	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS){1|C<4>,2|C<3>,2|H<1>}	130.7790	0.000	1	130.6893	0.113	3	130.9397	1.373	9	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5])	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](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5]){1|C<4>,1|H<1>,2|C<3>}	132.7390	0.191	2	132.7390	0.036	2	130.9397	1.373	9	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN)	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](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN){1|H<1>,4|C<3>}	125.2517	0.088	3	125.2517	0.008	3	125.2517	0.008	3	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-2:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC){1|H<1>,1|N<2>,2|C<3>}	136.5620	0.000	1	136.5620	0.000	1	136.5620	0.000	1	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:S[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(NC[6a]){1|C<3>,1|N<3>,1|O<1>}	123.7500	0.000	1	123.7500	0.000	1	123.7500	0.000	1	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC){1|H<1>,2|C<3>}	129.8960	0.000	1	129.8960	0.000	1	129.8960	0.000	1	131.0331	4.242	90	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:O[5]-2:C-3:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	129.8010	0.110	2	129.8010	0.012	2	129.8010	0.012	2	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	134.2450	0.000	1	134.2450	0.000	1	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCC){1|H<1>,3|C<3>}	133.3850	0.000	1	133.3850	0.000	1	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,1|N<3>,2|C<3>}	134.5460	0.075	2	134.4453	0.033	3	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,3|C<3>}	134.2440	0.000	1	134.4453	0.033	3	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H){1|H<1>,3|C<3>}	132.6883	1.269	3	132.6883	1.610	3	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	134.9410	0.000	1	134.9410	0.000	1	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	133.4035	0.310	2	132.7662	0.484	5	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>,2|C<3>}	132.3413	0.493	3	132.7662	0.484	5	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN){1|Cl<1>,1|H<1>,2|C<3>}	134.8465	0.142	2	134.8465	0.020	2	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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]Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN){1|H<1>,2|C<3>}	137.5225	0.784	2	137.5225	0.615	2	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH){1|H<1>,2|C<3>,2|O<1>}	130.1580	0.000	1	130.1580	0.000	1	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI){1|H<1>,2|C<3>,2|O<1>}	130.3800	0.000	1	130.3800	0.000	1	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	130.6040	0.000	1	130.6040	0.000	1	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]O){1|H<1>,2|C<3>,2|O<1>}	130.9240	0.000	1	130.9240	0.000	1	133.3912	4.167	22	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,1|N<2>,2|C<3>}	132.7340	0.000	1	132.2175	0.534	2	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,3|C<3>}	131.7010	0.000	1	132.2175	0.534	2	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH){1|H<1>,3|C<3>}	132.8883	0.423	3	132.8883	0.179	3	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]H){1|H<1>,1|N<2>,2|C<3>}	133.0310	0.055	2	133.0310	0.003	2	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	134.0555	0.127	2	134.0555	0.016	2	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,1|N<2>,2|C<3>}	132.9054	0.403	7	132.9054	0.162	7	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,3|C<3>}	131.1730	0.000	1	131.1730	0.000	1	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(NOO)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(NOO){1|H<1>,2|C<3>}	137.5767	0.601	3	137.5767	0.361	3	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH){1|H<1>,2|C<3>,2|O<1>}	130.4470	0.349	2	130.4470	0.122	2	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5]C)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5]C){1|H<1>,2|C<3>,2|O<1>}	131.9145	0.600	2	131.9145	0.360	2	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5a]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5a]H){1|H<1>,2|C<3>,2|O<1>}	130.4770	0.088	2	130.4770	0.008	2	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:N-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H){1|H<1>,2|C<3>,2|O<1>}	130.5355	0.067	2	130.5355	0.005	2	132.7951	4.145	28	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	131.7490	0.000	1	131.7490	0.000	1	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	132.9940	0.000	1	132.9940	0.000	1	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC){1|H<1>,1|O<1>,2|C<3>}	133.1275	0.603	2	133.1275	0.364	2	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	132.4040	0.000	1	131.5775	1.366	2	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){2|C<3>,3|H<1>}	130.7510	0.000	1	131.5775	1.366	2	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI){1|H<1>,1|O<1>,2|C<3>}	134.8090	0.000	1	134.8090	0.000	1	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]2){1|H<1>,1|O<2>,3|C<3>}	132.8910	0.000	1	132.8910	0.000	1	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	133.8310	0.371	2	133.8310	0.137	2	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	132.2140	0.058	2	132.2140	0.003	2	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I){1|H<1>,2|C<3>,2|C<4>}	132.7270	0.000	1	132.7270	0.000	1	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO){1|H<1>,1|O<1>,2|C<3>}	132.4600	0.000	1	132.4600	0.000	1	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH){1|H<1>,1|O<1>,2|C<3>}	130.4620	0.000	1	130.4620	0.000	1	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	130.2190	0.000	1	130.2190	0.000	1	132.4882	1.584	16	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O[5]-2:N-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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NPdC)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NPdC){1|H<1>,4|C<3>}	131.6890	0.617	6	131.6890	0.381	6	131.6890	0.381	6	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(COO)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(COO){1|H<1>,3|C<3>}	134.4315	0.231	2	134.4315	0.053	2	134.4315	0.053	2	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC[5a]H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC[5a]H){1|H<1>,2|C<3>}	132.2170	0.000	1	132.2170	0.000	1	132.2170	0.000	1	132.7727	3.492	77	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C-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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH){1|H<1>,2|C<3>,2|O<1>}	129.6350	0.000	1	129.6350	0.000	1	129.6350	0.000	1	128.0225	5.200	2	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C-4:	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](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)	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](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3){1|H<1>,4|C<3>}	126.4100	0.000	1	126.4100	0.000	1	126.4100	0.000	1	128.0225	5.200	2	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:H-1:	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](C[5,6a]C[5,6,6a]C[6a])(C[5]P[5,6]Si)(H)	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](C[5,6a]C[5,6,6a]C[6a])(C[5]P[5,6]Si)(H){1|H<1>,1|P<3>,1|W<6>,2|C<3>}	129.5970	0.000	1	129.5970	0.000	1	129.5970	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(O)	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](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(O){1|C<4>,1|H<1>,2|C<3>}	134.1943	0.355	4	134.1943	0.126	4	134.1943	0.126	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(N[5]C[5,6]O)(O)	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](C[5,6a]C[5,6,6a]C[6a])(N[5]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	131.3180	0.000	1	131.3180	0.000	1	131.3180	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])2(O)	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](C[5,6a]C[5,6a,6a]C[6a])2(O){2|H<1>,4|C<3>}	133.9690	0.102	2	133.9690	0.010	2	133.9690	0.010	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(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){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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	136.7450	0.000	1	136.7450	0.000	1	136.7450	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	134.3210	0.275	3	134.3210	0.076	3	134.1728	0.115	5	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	133.9505	0.381	2	133.9505	0.145	2	134.1728	0.115	5	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|Br<1>,3|C<3>}	136.8925	0.346	2	136.8925	0.120	2	136.8925	0.120	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:Br-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br){1|H<1>,3|C<3>}	136.8300	0.000	1	136.8300	0.000	1	136.8300	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-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]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	136.3825	1.327	2	136.1038	1.165	9	135.9093	1.168	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-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]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	135.8065	0.906	2	136.1038	1.165	9	135.9093	1.168	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-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]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	136.7067	0.604	3	136.1038	1.165	9	135.9093	1.168	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-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]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	136.4460	0.000	1	136.1038	1.165	9	135.9093	1.168	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-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]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	133.9900	0.000	1	136.1038	1.165	9	135.9093	1.168	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-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]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H){1|H<1>,3|C<3>}	135.0340	0.701	2	135.0340	0.492	2	135.9093	1.168	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O){1|H<1>,1|S<2>,4|C<3>}	133.0600	0.000	1	133.0600	0.000	1	132.8627	0.162	10	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O){1|H<1>,3|C<3>}	132.8408	0.421	9	132.8408	0.177	9	132.8627	0.162	10	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	133.4770	0.000	1	133.4770	0.000	1	135.0015	2.205	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	133.9800	0.000	1	133.9800	0.000	1	135.0015	2.205	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	136.2130	0.000	1	136.2130	0.000	1	135.0015	2.205	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	136.3360	0.000	1	136.3360	0.000	1	135.0015	2.205	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|Cl<1>,1|H<1>,4|C<3>}	131.5010	0.000	1	131.5010	0.000	1	132.1943	0.363	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|Cl<1>,4|C<3>}	132.5410	0.076	2	132.5410	0.006	2	132.1943	0.363	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|F<1>,1|O<2>,4|C<3>}	130.5340	0.000	1	130.5340	0.000	1	130.5340	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Cl-1:	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](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl)	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](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	128.5220	0.000	1	128.5220	0.000	1	127.7650	1.146	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Cl-1:	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](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl)	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](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	127.0080	0.000	1	127.0080	0.000	1	127.7650	1.146	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	131.7450	0.000	1	131.7450	0.000	1	131.9900	0.120	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	132.2350	0.000	1	132.2350	0.000	1	131.9900	0.120	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	128.8810	0.000	1	128.8810	0.000	1	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	129.3022	0.391	5	129.0246	0.558	7	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|S<2>,4|C<3>}	127.4980	0.000	1	129.0246	0.558	7	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|H<1>,3|C<3>}	129.1630	0.000	1	129.0246	0.558	7	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	128.3920	0.000	1	128.3920	0.000	1	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	129.2003	0.243	3	129.2003	0.059	3	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]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|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](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	130.6410	0.071	2	130.6410	0.005	2	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]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){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](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>}	131.0200	0.000	1	131.0200	0.000	1	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]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](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	127.2700	0.000	1	127.2700	0.000	1	129.2261	1.041	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	127.7877	0.555	6	127.7877	0.308	6	127.7877	0.308	6	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,6|C<3>}	128.5330	0.000	1	128.5330	0.000	1	129.2924	3.839	5	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]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|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](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	131.3360	0.785	2	131.3360	0.616	2	129.2924	3.839	5	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	127.6285	0.521	2	127.6285	0.272	2	129.2924	3.839	5	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:Cl-1:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2)(Cl)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2)(Cl){1|C<4>,1|H<1>,4|C<3>}	130.1490	2.055	2	130.1490	4.222	2	130.1490	4.222	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	129.5880	0.324	2	129.5880	0.105	2	130.2117	1.219	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	131.4590	0.000	1	131.4590	0.000	1	130.2117	1.219	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Br-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	130.3850	0.000	1	130.3850	0.000	1	130.3850	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Cl-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	130.5430	0.000	1	130.5430	0.000	1	130.8400	0.176	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Cl-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl){1|H<1>,5|C<3>}	131.1370	0.000	1	131.1370	0.000	1	130.8400	0.176	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<3>,5|C<4>}	132.4720	0.000	1	132.4720	0.000	1	129.3124	6.891	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	131.3750	0.000	1	131.4973	0.011	3	129.3124	6.891	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	131.5480	0.000	1	131.4973	0.011	3	129.3124	6.891	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,6|C<3>}	131.5690	0.000	1	131.4973	0.011	3	129.3124	6.891	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	126.7930	0.000	1	126.8838	0.104	4	129.3124	6.891	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|S<1>,2|H<1>,4|C<3>}	126.6880	0.000	1	126.8838	0.104	4	129.3124	6.891	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|Se<1>,2|H<1>,4|C<3>}	126.6910	0.000	1	126.8838	0.104	4	129.3124	6.891	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){2|H<1>,4|C<3>}	127.3630	0.000	1	126.8838	0.104	4	129.3124	6.891	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	129.3760	0.000	1	129.3760	0.000	1	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	128.9233	0.183	3	129.2975	1.398	8	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	130.8510	0.000	1	129.2975	1.398	8	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	130.9100	0.000	1	129.2975	1.398	8	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|C<4>,1|H<1>,4|C<3>}	129.3110	0.020	2	129.2975	1.398	8	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,5|C<3>}	127.2270	0.000	1	129.2975	1.398	8	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	129.4077	0.468	4	130.0830	0.860	23	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	130.0520	0.000	1	130.0830	0.860	23	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	129.7636	0.534	5	130.0830	0.860	23	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	130.8796	0.287	7	130.0830	0.860	23	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	131.6060	0.000	1	130.0830	0.860	23	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	127.6170	0.000	1	130.0830	0.860	23	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	130.3357	0.263	3	130.0830	0.860	23	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	129.0210	0.000	1	130.0830	0.860	23	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	131.1832	0.932	5	131.1832	0.869	5	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	130.9460	0.000	1	130.9460	0.000	1	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.5645	0.080	2	129.5645	0.006	2	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O){2|H<1>,4|C<3>}	131.6625	0.037	2	131.6625	0.001	2	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|C<4>,1|H<1>,3|C<3>}	130.7010	0.140	2	130.1593	0.890	3	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	129.0760	0.000	1	130.1593	0.890	3	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	129.3350	0.000	1	129.3350	0.000	1	130.1042	1.162	46	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H){1|H<1>,4|C<3>}	128.3530	0.000	1	128.3530	0.000	1	132.3910	7.950	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])2(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](C[5,6a]C[5,6a]C[6a])2(H){2|H<1>,4|C<3>}	132.5510	0.000	1	132.5510	0.000	1	132.3910	7.950	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])2(H)	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](C[5,6a]C[5,6a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	134.3280	0.000	1	134.3300	0.000	2	132.3910	7.950	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])2(H)	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](C[5,6a]C[5,6a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	134.3320	0.000	1	134.3300	0.000	2	132.3910	7.950	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])2(N)	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](C[5,6a]C[5,6a]C[6a])2(N){2|C<3>,2|H<1>,2|N<2>}	132.3240	0.809	2	132.3240	0.654	2	132.3240	0.654	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.5790	0.000	1	129.5790	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	129.5800	0.296	2	129.1930	0.278	4	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|Cl<1>,1|H<1>,4|C<3>}	129.0790	0.000	1	129.1930	0.278	4	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	128.5330	0.000	1	129.1930	0.278	4	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.3065	0.211	2	128.4470	2.239	3	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	126.7280	0.000	1	128.4470	2.239	3	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	128.8150	0.000	1	127.9673	1.891	9	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	127.4200	0.000	1	127.9673	1.891	9	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	126.4680	0.215	2	127.9673	1.891	9	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.6790	0.000	1	127.9673	1.891	9	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	130.0130	0.000	1	127.9673	1.891	9	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	127.3415	1.279	2	127.9673	1.891	9	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	128.1600	0.000	1	127.9673	1.891	9	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.6720	0.115	2	129.6483	0.008	3	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.6010	0.000	1	129.6483	0.008	3	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	128.6270	0.000	1	128.6270	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	129.4180	0.000	1	129.4180	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.4100	0.000	1	129.5840	0.061	2	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	129.7580	0.000	1	129.5840	0.061	2	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,4|C<3>}	127.7213	0.383	6	127.8543	0.246	7	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|H<1>,5|C<3>}	128.6520	0.000	1	127.8543	0.246	7	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	128.6818	0.329	5	128.7620	0.125	6	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,4|C<3>}	129.1630	0.000	1	128.7620	0.125	6	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|I<1>,1|N<2>,3|C<3>}	128.8060	0.000	1	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	129.4401	0.521	10	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.6640	0.000	1	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.1530	0.000	1	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	129.0020	0.263	5	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,4|C<3>}	129.2780	0.000	1	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	129.3320	0.000	1	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	128.9315	1.718	2	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	128.2646	0.761	10	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	129.5780	0.000	1	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	128.4045	0.349	2	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.8866	0.606	20	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	130.5220	0.000	1	129.2999	0.729	56	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	127.6630	0.000	1	127.6630	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	129.4110	0.000	1	129.5128	0.642	10	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	129.0215	1.024	4	129.5128	0.642	10	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	129.2820	0.000	1	129.5128	0.642	10	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	130.0873	0.308	4	129.5128	0.642	10	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.3360	0.000	1	129.3360	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	127.0805	0.199	2	127.7999	0.746	16	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	127.1180	0.346	2	127.7999	0.746	16	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	128.9305	0.555	2	127.7999	0.746	16	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.1745	0.680	2	127.7999	0.746	16	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	127.5240	0.438	8	127.7999	0.746	16	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	130.1350	0.000	1	130.1350	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	129.7140	0.000	1	128.6463	0.667	6	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	128.0510	0.000	1	128.6463	0.667	6	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	128.5282	0.771	4	128.6463	0.667	6	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	128.0620	0.000	1	128.0620	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	131.7550	0.000	1	131.7550	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|C<3>,2|H<1>,2|N<2>}	132.6650	0.157	2	132.0595	0.369	28	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|C<3>,2|H<1>,2|N<2>}	132.0381	0.618	24	132.0595	0.369	28	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	131.7110	0.387	2	132.0595	0.369	28	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	126.8670	0.369	3	126.8670	0.136	3	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	128.0070	0.000	1	128.0070	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|H<1>,4|C<3>}	130.7120	0.000	1	130.7120	0.000	1	129.4089	2.540	163	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[3x5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[3x5])(O){1|H<1>,2|C<4>,4|C<3>}	128.7710	0.000	1	128.7710	0.000	1	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	129.3880	0.000	1	129.3880	0.000	1	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	126.8170	0.000	1	126.8170	0.000	1	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,1|C<6>,1|O<2>,2|C<3>,3|H<1>}	128.3100	0.000	1	129.2158	0.222	13	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	129.3300	0.363	6	129.2158	0.222	13	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,3|C<3>,4|H<1>}	129.3940	0.000	1	129.2158	0.222	13	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){2|C<3>,2|C<4>,4|H<1>}	129.3610	0.000	1	129.2158	0.222	13	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|H<1>,1|O<2>,6|C<3>}	128.3690	0.000	1	129.2158	0.222	13	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	129.1470	0.000	1	129.2158	0.222	13	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	129.6225	0.013	2	129.2158	0.222	13	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]O[5])(O){1|H<1>,1|O<2>,4|C<3>}	129.3390	0.000	1	129.3390	0.000	1	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	127.4940	0.528	3	128.5903	0.404	16	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	128.6930	0.000	1	128.5903	0.404	16	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,1|O<2>,5|C<3>}	128.8110	0.000	1	128.5903	0.404	16	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,1|P<4>,5|C<3>}	128.8470	0.000	1	128.5903	0.404	16	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	128.8612	0.340	10	128.5903	0.404	16	128.8353	0.506	33	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|N<2>,2|H<1>,3|C<3>}	128.9740	0.286	2	128.6416	0.207	9	128.6416	0.207	9	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|C<4>,1|H<1>,4|C<3>}	128.6200	0.262	3	128.6416	0.207	9	128.6416	0.207	9	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	127.6060	0.000	1	128.6416	0.207	9	128.6416	0.207	9	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,5|C<3>}	129.0050	0.000	1	128.6416	0.207	9	128.6416	0.207	9	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	128.6775	0.098	2	128.6416	0.207	9	128.6416	0.207	9	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]B[6])(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](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	134.8260	0.066	2	134.8260	0.004	2	135.4312	0.879	6	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]Ga[6])(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](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]Ga[6])(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	135.7338	1.048	4	135.7338	1.098	4	135.4312	0.879	6	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	129.9320	0.000	1	129.9320	0.000	1	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	129.5190	0.000	1	129.5190	0.000	1	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,1|H<1>,5|C<3>}	129.5427	0.275	3	129.5745	0.039	6	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,2|H<1>,4|C<3>}	129.6570	0.000	1	129.5745	0.039	6	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|H<1>,2|C<4>,4|C<3>}	129.5810	0.182	2	129.5745	0.039	6	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	130.5560	0.458	4	130.3500	0.437	15	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	131.1697	0.089	3	130.3500	0.437	15	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	129.9396	0.527	8	130.3500	0.437	15	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|C<6>,1|O<2>,2|C<3>,3|H<1>}	128.7900	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	129.4200	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	130.1280	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	129.4835	0.775	4	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	129.5400	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	129.6420	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	129.3350	0.000	2	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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<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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	129.0370	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	128.3500	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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|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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	129.2039	0.449	9	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	127.8580	0.051	2	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	128.5955	0.421	2	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	128.8440	0.300	2	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|H<1>,5|C<3>}	128.7150	0.148	2	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){3|H<1>,4|C<3>}	127.8800	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	129.5390	0.158	2	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	129.4810	1.230	2	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	130.2840	0.000	1	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	129.4175	0.095	2	129.1424	0.435	38	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|C<4>,2|H<1>,4|C<3>}	128.6153	0.681	4	128.5499	0.428	8	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|C<4>,2|H<1>,4|C<3>}	128.9500	0.000	1	128.5499	0.428	8	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|N<3>,2|H<1>,4|C<3>}	128.5685	0.971	2	128.5499	0.428	8	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|H<1>,5|C<3>}	127.8510	0.000	1	128.5499	0.428	8	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	129.9120	0.000	1	129.6855	0.103	2	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	129.4590	0.000	1	129.6855	0.103	2	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,2|H<1>,4|C<3>}	128.8250	0.713	2	128.8250	0.508	2	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	130.0710	0.423	2	130.0710	0.179	2	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	131.4930	0.000	1	131.4930	0.000	1	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	131.1520	0.000	1	131.1520	0.000	1	129.4515	0.756	77	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	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](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,2|H<1>,4|C<4>}	129.6120	0.000	1	129.5283	0.014	3	129.5283	0.014	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	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](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	129.4865	0.131	2	129.5283	0.014	3	129.5283	0.014	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	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](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	128.9430	0.000	1	128.9430	0.000	1	128.9430	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|I<1>,1|N<2>,3|C<3>}	132.5510	0.000	1	132.5510	0.000	1	132.5510	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5,6]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	130.1620	0.034	2	130.1620	0.001	2	130.1620	0.001	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	129.4087	0.641	3	129.4087	0.410	3	129.4087	0.410	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[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){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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	126.5570	0.099	2	126.5570	0.010	2	125.4822	1.097	5	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	124.8905	0.660	2	124.8905	0.435	2	125.4822	1.097	5	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H){1|H<1>,2|C<4>,4|C<3>}	124.5160	0.000	1	124.5160	0.000	1	125.4822	1.097	5	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,4|C<3>}	126.0560	0.000	1	126.0560	0.000	1	126.3207	0.058	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	126.4530	0.102	2	126.4530	0.010	2	126.3207	0.058	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	128.1732	0.450	4	128.1732	0.202	4	129.0696	0.380	45	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.6243	0.346	4	129.6243	0.120	4	129.0696	0.380	45	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.5685	0.158	2	129.5685	0.025	2	129.0696	0.380	45	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.2698	0.322	16	129.2698	0.104	16	129.0696	0.380	45	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.0845	0.720	12	129.0845	0.518	12	129.0696	0.380	45	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	129.1160	0.000	1	128.6390	0.262	7	129.0696	0.380	45	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	128.7003	0.503	4	128.6390	0.262	7	129.0696	0.380	45	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	128.2780	0.556	2	128.6390	0.262	7	129.0696	0.380	45	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H){1|H<1>,2|C<3>}	127.2655	0.083	2	127.2655	0.007	2	127.2655	0.007	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	127.5580	0.000	1	127.5580	0.000	1	127.5580	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	128.9450	0.000	1	128.9450	0.000	1	129.5530	0.739	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	130.1610	0.000	1	130.1610	0.000	1	129.5530	0.739	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|Br<1>,2|C<3>,5|C<4>}	133.9860	2.921	4	133.9860	8.535	4	133.9860	8.535	4	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Br<1>,1|H<1>,2|C<3>}	133.2760	0.000	1	133.2760	0.000	1	133.2760	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	132.6850	0.000	1	133.4940	0.307	5	131.5185	4.482	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	134.1260	0.000	1	133.4940	0.307	5	131.5185	4.482	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	133.7125	0.103	2	133.4940	0.307	5	131.5185	4.482	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	133.2340	0.000	1	133.4940	0.307	5	131.5185	4.482	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	132.3590	0.000	1	132.3590	0.000	1	131.5185	4.482	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	129.4807	0.396	3	129.3748	0.099	5	131.5185	4.482	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|Cl<1>,1|C<4>,3|C<3>}	129.2160	0.004	2	129.3748	0.099	5	131.5185	4.482	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5,6]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	129.6920	0.000	1	129.6920	0.000	1	129.6920	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	131.5300	0.000	1	131.5300	0.000	1	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[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](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>,3|N<3>}	131.5725	0.938	2	131.5725	0.880	2	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	130.3222	0.382	4	130.0243	0.321	10	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	130.1210	0.000	1	130.0243	0.321	10	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	129.6315	0.681	4	130.0243	0.321	10	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<2>,3|C<3>}	130.3070	0.000	1	130.0243	0.321	10	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	130.5885	0.664	2	130.5885	0.441	2	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|Cl<1>,1|O<1>,2|C<3>}	130.8145	0.182	2	130.8145	0.033	2	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|Cl<1>,1|O<1>,2|C<3>}	130.0175	0.361	4	130.0175	0.130	4	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Cl<1>,1|O<1>,4|C<3>}	130.0610	0.379	21	130.0610	0.144	21	130.2160	0.364	42	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5])(O){1|F<1>,1|O<1>,2|C<4>,3|C<3>}	130.7975	0.228	2	130.7975	0.052	2	131.3971	0.553	12	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|F<1>,1|O<1>,2|C<3>}	131.1945	0.022	2	131.1945	0.000	2	131.3971	0.553	12	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O){1|F<1>,1|N<2>,2|C<3>}	131.2020	0.000	1	131.2020	0.000	1	131.3971	0.553	12	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Sn)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Sn)(O){1|F<1>,1|O<1>,2|C<3>}	132.5023	0.530	3	132.5023	0.281	3	131.3971	0.553	12	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|F<1>,1|O<1>,4|C<3>}	131.0180	0.360	4	131.0180	0.130	4	131.3971	0.553	12	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Br-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br){1|Br<1>,2|H<1>,4|C<3>}	132.3780	0.000	1	132.3780	0.000	1	130.6093	4.340	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Br-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br){2|H<1>,3|C<3>}	131.1370	0.000	1	131.1370	0.000	1	130.6093	4.340	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Br-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br){1|H<1>,5|C<3>}	128.3130	0.000	1	128.3130	0.000	1	130.6093	4.340	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Cl-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl){1|H<1>,6|C<3>}	128.0080	0.000	1	128.0080	0.000	1	128.0080	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]As[5]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](C[5,6a]C[5,6a]C[6a])(C[5]As[5]C[6a])(H){1|H<1>,5|C<3>}	126.0880	0.191	2	126.0880	0.036	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]N)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	131.4120	0.000	1	131.4120	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|H<1>,1|O<2>,3|C<3>}	131.4740	0.000	1	131.4010	0.037	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,3|C<3>}	131.1840	0.000	1	131.4010	0.037	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,3|C<3>}	131.5450	0.000	1	131.4010	0.037	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(H){1|H<1>,4|C<3>}	131.9500	0.058	2	131.9500	0.003	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	131.6635	0.245	2	131.6635	0.060	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(H){1|H<1>,4|C<3>}	130.9030	0.733	4	130.9030	0.538	4	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	131.2770	0.000	1	131.2770	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H){2|C<3>,3|H<1>}	130.0700	0.000	1	130.0700	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	131.3850	0.000	1	130.2685	0.727	4	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	129.8963	0.510	3	130.2685	0.727	4	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	127.2350	0.000	1	127.2350	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	127.7200	0.000	1	127.7200	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|O<1>,2|C<3>}	129.9630	0.000	1	129.9630	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	131.0630	0.000	1	131.0630	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	130.0835	0.387	2	130.3803	0.339	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	130.9740	0.000	1	130.3803	0.339	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,3|C<3>,4|H<1>}	130.8440	0.000	1	131.1735	0.217	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){2|C<3>,3|C<4>,3|H<1>}	131.5030	0.000	1	131.1735	0.217	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H){2|C<3>,3|H<1>}	132.1660	0.000	1	131.5485	0.763	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H){2|C<3>,3|H<1>}	130.9310	0.000	1	131.5485	0.763	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	131.4035	0.576	2	131.1706	0.331	13	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	131.2380	0.000	1	131.1706	0.331	13	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	130.7855	0.520	2	131.1706	0.331	13	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	131.6840	0.000	1	131.1706	0.331	13	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	131.2580	0.053	4	131.1706	0.331	13	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	131.6085	0.148	2	131.1706	0.331	13	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	129.6690	0.000	1	131.1706	0.331	13	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|Cr<9>,2|C<3>,2|C<4>,3|H<1>}	130.2660	0.000	1	131.0807	0.498	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	131.4880	0.000	2	131.0807	0.498	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|B<3>,2|C<3>,2|H<1>}	131.8310	0.000	1	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	132.7530	0.000	1	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	131.7830	1.362	2	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<3>,2|C<3>}	133.1590	0.000	1	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<3>,2|C<3>,2|H<1>}	132.0673	0.376	3	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<4>,2|C<3>}	132.7733	0.412	3	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<4>,2|C<3>,2|H<1>}	131.5130	0.000	1	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	126.6220	0.000	1	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Cr<4>,2|C<3>,2|H<1>}	132.2130	0.000	1	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Pd<4>,2|C<3>,2|H<1>}	132.0160	0.000	1	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Pd<7>,2|C<3>,2|H<1>}	133.0240	0.000	1	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	130.9203	0.938	3	131.7884	2.277	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	131.9763	0.673	3	131.4580	0.489	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|P<4>,2|C<3>,2|H<1>}	130.6005	0.151	4	131.4580	0.489	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	132.1964	0.252	5	131.4580	0.489	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Ir<7>,1|H<1>,1|P<5>,2|C<3>}	131.2770	0.000	1	131.4580	0.489	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Rh<7>,1|H<1>,1|P<5>,2|C<3>}	131.1420	0.000	2	131.4580	0.489	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Ru<8>,1|H<1>,1|P<4>,2|C<3>}	131.2070	0.455	4	131.4580	0.489	19	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	130.5130	0.000	1	130.5130	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	130.7020	0.000	1	130.7020	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){2|C<3>,3|H<1>}	130.8060	0.000	1	131.6733	0.571	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){1|H<1>,1|P<4>,2|C<3>}	132.1070	0.119	2	131.6733	0.571	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H){1|C<4>,1|P<3>,2|C<3>,3|H<1>}	132.4300	0.000	1	132.4300	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,2|C<3>}	131.6230	0.000	1	131.1475	0.452	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,3|C<3>}	130.6720	0.000	1	131.1475	0.452	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(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>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|C<4>,2|C<3>,2|H<1>}	131.5620	0.000	1	131.2780	0.103	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|H<1>,3|C<3>}	131.1360	0.290	2	131.2780	0.103	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	131.2780	0.000	1	131.1787	0.625	14	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	131.4210	0.244	3	131.1787	0.625	14	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){3|H<1>,4|C<3>}	131.2368	0.712	4	131.1787	0.625	14	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	131.4980	0.756	4	131.1787	0.625	14	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	130.0110	1.198	2	131.1787	0.625	14	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	131.7560	0.717	2	131.7560	0.514	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){2|C<3>,2|H<1>}	132.1600	0.000	1	132.1600	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	135.2690	0.000	1	135.2690	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,2|C<3>}	135.4030	0.000	1	135.4030	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|C<4>,1|H<1>,5|C<3>}	126.7982	0.419	4	126.6847	0.108	7	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	126.5050	0.000	1	126.6847	0.108	7	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,6|C<3>}	126.5475	0.035	2	126.6847	0.108	7	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	126.5485	0.073	2	126.7384	0.033	5	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	126.8650	0.049	3	126.7384	0.033	5	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(H){2|Mn<6>,1|H<1>,2|C<3>}	127.1530	0.000	1	127.1530	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]Mn)(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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]Mn)(H){1|Mn<6>,1|H<1>,3|C<3>}	126.9620	0.000	1	126.9620	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]N)(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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]N)(H){1|H<1>,1|W<6>,3|C<3>}	126.7740	0.000	1	126.7740	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6]S[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6]S[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	128.9360	0.000	1	128.9360	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	128.2050	0.000	1	128.2050	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	128.6757	0.774	3	128.6757	0.599	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H){1|Rh<4>,1|H<1>,2|C<3>}	128.9230	0.000	1	128.9230	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,1|N<2>,3|C<3>}	127.0930	0.000	1	127.0930	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	127.0900	0.000	1	127.0900	0.000	1	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H){1|H<1>,2|C<4>,4|C<3>}	124.7130	0.094	3	124.7130	0.009	3	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H){1|H<1>,4|C<3>}	125.1360	0.380	2	125.1360	0.145	2	130.3738	4.794	143	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:I-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I){1|H<1>,6|C<3>}	132.4580	0.000	1	132.4580	0.000	1	131.9463	0.881	6	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:I-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I){1|H<1>,6|C<3>}	131.5780	0.016	2	131.5780	0.000	2	131.9463	0.881	6	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:I-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){1|H<1>,5|C<3>}	130.7710	0.000	1	131.2740	0.506	2	131.9463	0.881	6	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:I-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){2|H<1>,5|C<3>}	131.7770	0.000	1	131.2740	0.506	2	131.9463	0.881	6	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:I-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(I)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(I){1|H<1>,2|C<3>}	133.5160	0.000	1	133.5160	0.000	1	131.9463	0.881	6	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	129.6025	0.088	2	129.6025	0.008	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(O){1|H<1>,2|C<3>,2|S<2>}	128.2590	0.000	1	128.2590	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(O){1|H<1>,2|C<3>,2|N<3>}	128.0990	0.000	1	128.0990	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	127.6320	0.000	1	127.6320	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	130.6920	0.000	1	130.6920	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	130.1490	0.164	2	129.8083	0.362	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.1270	0.000	1	129.8083	0.362	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	128.0460	0.000	1	128.0460	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	129.9870	0.000	1	129.9870	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	128.8430	1.141	3	128.8430	1.301	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	130.5320	0.000	1	130.5320	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	130.7890	0.000	1	130.7890	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	131.3823	0.145	3	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	130.9795	0.057	4	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	128.3495	0.381	2	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	128.8140	0.000	1	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	129.8770	0.533	2	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	130.8850	0.000	1	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	128.9670	0.000	1	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,3|C<3>,3|H<1>}	128.4228	0.293	4	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,5|C<3>}	130.4225	0.183	2	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,2|H<1>,4|C<3>}	128.5181	0.327	12	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){2|C<4>,2|H<1>,3|C<3>}	128.4050	0.000	1	129.3437	1.414	33	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	128.2350	0.000	1	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	130.7370	0.000	1	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.9840	0.871	4	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	131.7090	0.788	4	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	131.4600	0.000	1	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	130.9110	0.000	1	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	131.2470	0.000	1	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	131.1763	0.605	3	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	128.6637	1.141	3	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	129.5120	0.940	4	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	129.2305	0.936	2	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.4525	0.665	39	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	131.2400	1.272	6	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	128.8140	0.543	2	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	130.1150	0.000	1	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|P<4>,2|C<3>,2|H<1>}	128.3000	0.000	1	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	128.8839	0.436	27	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	128.8190	0.102	2	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	128.2378	1.245	18	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	128.4136	0.260	5	129.3601	1.464	126	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.1130	0.607	2	129.5245	0.580	15	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	129.6682	0.738	11	129.5245	0.580	15	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	130.0000	0.000	1	129.5245	0.580	15	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	128.2920	0.000	1	129.5245	0.580	15	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,3|C<3>}	129.9770	0.414	7	129.9770	0.171	7	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O){1|H<1>,3|C<3>}	130.3220	0.000	1	130.3220	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	130.3395	0.139	2	129.0950	1.045	22	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|N<3>,2|C<3>}	128.2284	0.490	8	129.0950	1.045	22	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	129.1475	0.727	6	129.0950	1.045	22	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<2>,2|C<3>}	130.5970	0.000	1	129.0950	1.045	22	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){2|C<3>,3|H<1>}	129.3750	0.000	1	129.0950	1.045	22	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,3|C<3>}	129.6820	1.261	4	129.0950	1.045	22	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	129.6600	0.317	2	129.6600	0.100	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(O){1|H<1>,3|C<3>}	129.3030	0.000	1	129.3030	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O){1|H<1>,3|C<3>}	130.6080	0.000	1	130.6080	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	129.5830	0.117	6	129.9340	0.362	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){2|C<3>,2|H<1>}	131.0740	0.000	1	129.9340	0.362	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|S<2>,2|C<3>}	129.5080	0.000	1	129.9340	0.362	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	130.6490	0.000	1	129.9340	0.362	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	130.6110	0.000	1	129.9340	0.362	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.2488	0.331	4	129.2488	0.110	4	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<2>,1|H<1>,4|C<3>}	130.9450	0.000	1	130.7149	0.371	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	131.1043	0.532	4	130.7149	0.371	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<4>,4|C<3>}	129.9880	0.001	2	130.7149	0.371	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|Si<4>,1|H<1>,4|C<3>}	129.9220	0.000	1	130.7149	0.371	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	130.9445	0.203	2	130.7149	0.371	10	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	130.1500	0.000	1	128.5980	0.829	6	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	128.1368	0.517	4	128.5980	0.829	6	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	128.8910	0.000	1	128.5980	0.829	6	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	128.4580	0.085	2	128.4580	0.007	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	129.1535	0.183	2	130.3220	4.113	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	132.6590	0.000	1	130.3220	4.113	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.4680	0.354	2	131.4680	0.125	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	128.7465	0.486	2	129.7023	2.859	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	131.6140	0.000	1	129.7023	2.859	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	131.4190	0.358	11	131.4669	0.159	15	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.7900	0.389	2	131.4669	0.159	15	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.9340	0.000	1	131.4669	0.159	15	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	130.8800	0.000	1	131.4669	0.159	15	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	131.5316	0.602	10	131.5968	0.287	14	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.7597	0.329	4	131.5968	0.287	14	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	131.6080	0.000	1	131.6080	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	131.4856	0.536	7	131.7047	0.453	9	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	132.9140	0.000	1	131.7047	0.453	9	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	132.0290	0.000	1	131.7047	0.453	9	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	131.8890	0.000	1	131.5995	0.168	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	131.3100	0.000	1	131.5995	0.168	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	131.4316	0.395	7	131.4665	0.115	12	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.5154	0.278	5	131.4665	0.115	12	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	131.0790	0.000	1	131.1347	0.755	12	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.8727	1.092	3	131.1347	0.755	12	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	131.2720	0.834	2	131.1347	0.755	12	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	132.0850	0.000	1	131.1347	0.755	12	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	132.0350	0.706	2	131.1347	0.755	12	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	130.4067	0.425	3	131.1347	0.755	12	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|C<4>,1|H<1>,4|C<3>}	131.9580	0.000	1	132.3845	0.598	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	131.7675	0.176	2	132.3845	0.598	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,1|N<3>,3|C<3>}	133.2173	0.732	3	132.3845	0.598	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,4|C<3>}	132.5870	0.000	2	132.3845	0.598	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	131.9700	0.793	3	132.3845	0.598	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	132.7350	0.000	1	132.7350	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	131.1508	0.489	4	131.4571	0.485	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|S<4>,2|C<3>}	129.9750	0.000	1	131.4571	0.485	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	132.3450	0.000	1	131.4571	0.485	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	131.8170	0.190	4	131.4571	0.485	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	131.8370	0.000	1	131.4571	0.485	11	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	131.9810	0.000	1	132.2595	0.155	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|H<1>,2|C<3>}	132.5380	0.000	1	132.2595	0.155	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.3040	0.000	1	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	132.0935	0.185	2	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	133.5185	0.103	2	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	131.7140	0.447	38	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.7930	0.358	2	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	132.3923	0.338	7	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.0320	0.000	1	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	132.5910	0.000	1	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	132.1260	0.000	1	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.5700	0.000	1	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	132.2800	0.000	1	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	132.8470	1.820	2	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	131.1070	0.000	1	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	130.7105	0.675	2	131.8680	0.450	62	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	131.3590	0.000	1	131.3590	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	131.6090	0.516	3	131.6430	0.182	4	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.7450	0.000	1	131.6430	0.182	4	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	130.8667	0.800	3	131.1050	0.653	4	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	131.8200	0.000	1	131.1050	0.653	4	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	132.1790	0.000	2	132.1790	0.000	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	132.5010	0.000	1	132.5010	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	133.0210	0.000	1	133.2403	0.158	8	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	133.2716	0.419	7	133.2403	0.158	8	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	132.1840	0.000	1	132.1840	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	127.8050	0.000	1	127.8050	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|H<1>,1|S<2>,3|C<3>}	127.1640	0.000	1	127.1640	0.000	1	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,1|S<2>,3|C<3>}	126.8125	0.380	2	126.5373	0.299	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,4|C<3>}	125.9870	0.000	1	126.5373	0.299	3	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	125.8427	0.308	6	126.0868	0.173	14	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	126.2699	0.404	8	126.0868	0.173	14	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	133.7780	0.000	1	133.4915	0.164	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	133.2050	0.000	1	133.4915	0.164	2	130.2170	2.938	458	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(H){2|C<3>,2|H<1>}	135.0320	0.000	1	135.0320	0.000	1	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	127.4055	0.175	2	127.1048	0.196	11	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	127.3380	0.000	1	127.1048	0.196	11	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	126.8861	0.381	7	127.1048	0.196	11	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	127.8010	0.000	1	127.1048	0.196	11	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C[6])(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	126.4705	0.325	4	126.4705	0.106	4	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]O)(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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]O)(H){1|H<1>,4|C<3>}	127.3640	0.000	1	127.3640	0.000	1	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){1|Cl<1>,1|H<1>,5|C<3>}	128.0610	0.000	1	127.1416	0.335	13	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){2|Cl<1>,1|H<1>,4|C<3>}	127.3290	0.000	1	127.1416	0.335	13	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	127.0410	0.550	11	127.1416	0.335	13	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(H){1|H<1>,6|C<3>}	127.5233	0.454	3	127.5233	0.206	3	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(H){2|C<3>,2|H<1>}	134.7130	0.000	1	134.7130	0.000	1	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	135.2842	0.208	4	134.7740	0.364	8	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	134.2638	0.335	4	134.7740	0.364	8	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Al)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Al)(H){1|Al<4>,1|H<1>,2|C<3>}	135.2650	0.000	1	135.2650	0.000	1	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	135.1440	0.000	1	134.4902	1.078	5	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|Pd<4>,1|H<1>,2|C<3>}	134.3268	1.122	4	134.4902	1.078	5	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H){1|C<4>,1|H<1>,2|C<3>}	135.5360	0.371	4	135.5360	0.138	4	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H){1|C<4>,1|H<1>,2|C<3>}	135.0375	0.081	2	134.5122	1.689	6	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H){2|C<3>,2|H<1>}	134.2495	1.593	4	134.5122	1.689	6	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){2|C<3>,2|H<1>}	135.9490	0.000	1	134.6891	1.384	8	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){1|B<4>,1|H<1>,2|C<3>}	135.5937	0.814	3	134.6891	1.384	8	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){1|H<1>,3|C<3>}	133.6958	0.354	4	134.6891	1.384	8	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	134.1600	0.216	4	134.4069	0.123	7	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|Os<6>,1|H<1>,2|C<3>}	134.7360	0.125	3	134.4069	0.123	7	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(H){1|C<4>,1|H<1>,2|C<3>}	135.8595	0.107	2	135.8595	0.011	2	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(H){1|C<5>,1|H<1>,2|C<3>}	134.2720	0.000	1	135.2006	0.725	7	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(H){2|C<3>,2|H<1>}	135.3553	0.818	6	135.2006	0.725	7	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(H){1|C<4>,1|H<1>,2|C<3>}	135.2254	0.500	5	135.2254	0.250	5	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|C<4>,1|H<1>,2|C<3>}	137.0070	0.000	1	135.3678	0.868	11	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){2|C<3>,2|H<1>}	135.4455	0.495	4	135.3678	0.868	11	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|H<1>,3|C<3>}	133.8325	0.001	2	135.3678	0.868	11	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|Re<6>,1|H<1>,2|C<3>}	135.6480	0.264	4	135.3678	0.868	11	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Rh)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Rh)(H){1|B<4>,1|H<1>,2|C<3>}	135.2513	0.431	3	135.2513	0.186	3	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H){2|C<3>,2|H<1>}	135.9950	0.000	1	134.9966	0.972	28	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H){2|C<3>,2|H<1>}	135.0207	0.950	26	134.9966	0.972	28	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H){1|H<1>,3|C<3>}	133.3700	0.000	1	134.9966	0.972	28	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	134.8740	0.996	2	134.8740	0.991	2	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	127.2020	0.000	1	127.2020	0.000	1	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H){1|H<1>,2|C<3>}	130.9490	1.993	2	130.9490	3.971	2	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	124.6520	0.283	2	124.6520	0.080	2	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H){1|H<1>,2|C<3>}	124.6380	0.000	1	124.6380	0.000	1	132.7868	13.526	137	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:N-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(N){1|H<1>,1|O<1>,2|C<3>}	130.9460	0.000	1	130.9460	0.000	1	130.9460	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	128.9990	0.000	1	128.9990	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]N)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]N)(O){1|C<4>,1|H<1>,3|C<3>}	129.4170	0.000	1	129.4170	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	130.1520	0.000	1	129.7357	0.239	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.9595	0.004	2	129.7357	0.239	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,2|C<3>,2|C<4>}	129.4477	0.581	3	129.7357	0.239	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	130.0400	0.000	1	130.0400	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	129.4520	0.701	3	129.9473	0.686	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	129.7690	0.000	1	129.9473	0.686	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	130.3970	0.000	1	129.9473	0.686	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	131.1620	0.000	1	129.9473	0.686	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.9540	0.000	1	130.2250	0.039	5	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|C<4>,1|H<1>,3|C<3>}	130.3580	0.000	1	130.2250	0.039	5	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|H<1>,4|C<3>}	130.2710	0.170	3	130.2250	0.039	5	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]S)(O){1|C<4>,1|H<1>,3|C<3>}	128.3660	0.000	1	128.3660	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,1|N<2>,3|C<3>}	132.4070	0.000	1	132.4070	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	129.7913	0.494	21	129.7913	0.244	21	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	128.5980	0.538	4	128.5980	0.290	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	128.7162	0.408	5	128.9976	0.268	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,6|C<3>}	129.2790	0.487	5	128.9976	0.268	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]H)(O){1|C<4>,1|H<1>,3|C<3>}	129.6985	0.292	2	129.6985	0.085	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	129.1676	0.763	28	129.2571	0.533	36	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	129.5700	0.524	8	129.2571	0.533	36	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]O)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]O)(O){1|H<1>,2|C<3>,2|C<4>}	129.6490	0.000	1	129.6490	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.4680	0.000	1	129.4680	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	128.2500	0.000	1	128.3947	0.497	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	128.4670	0.981	2	128.3947	0.497	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	126.6020	0.000	1	126.6020	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	127.9050	0.000	1	127.9050	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	129.5970	0.000	1	129.5970	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	127.7270	0.000	1	127.7270	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|N<3>,2|H<1>,4|C<3>}	127.8920	0.000	1	127.8920	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.7930	0.175	2	130.1247	0.345	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.7880	0.000	1	130.1247	0.345	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.8192	0.528	6	129.8192	0.279	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.2540	0.673	4	129.2540	0.453	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.9837	0.556	3	129.9837	0.309	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	131.0147	0.691	3	131.0147	0.477	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	130.6022	0.498	4	130.6022	0.248	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	128.7880	0.000	1	129.2405	0.132	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.3913	0.247	3	129.2405	0.132	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.9285	0.305	2	130.0646	0.163	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.0182	0.457	6	130.0646	0.163	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.3400	0.355	2	130.0646	0.163	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.1280	0.000	1	129.1280	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	129.5330	0.000	1	129.5330	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(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|O<2>,1|S<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>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<2>,3|C<3>}	128.2080	0.000	1	127.7875	0.354	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	127.3670	0.000	1	127.7875	0.354	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	129.9490	0.000	1	129.7753	0.167	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.3090	0.000	1	129.7753	0.167	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.0680	0.000	1	129.7753	0.167	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	129.8650	0.000	1	129.8650	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.7185	0.591	4	129.6902	0.266	5	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.5770	0.000	1	129.6902	0.266	5	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[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](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	130.6390	0.083	2	130.6390	0.007	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	129.7508	0.164	4	129.7662	0.019	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.7970	0.103	2	129.7662	0.019	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	130.0184	0.613	10	129.8992	0.495	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	128.7070	0.000	1	129.8992	0.495	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	129.6150	0.000	1	130.0185	0.213	30	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	130.0675	0.269	4	130.0185	0.213	30	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	130.1129	0.542	15	130.0185	0.213	30	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	130.1428	0.310	6	130.0185	0.213	30	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	129.5302	0.057	4	130.0185	0.213	30	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.8762	0.470	6	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	129.1234	0.603	5	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	128.8500	0.000	1	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.6760	1.846	3	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	131.0185	0.375	2	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.3093	0.602	608	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.3510	0.000	1	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.4898	0.581	5	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.9420	0.445	14	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	131.4313	1.258	7	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	130.4380	1.243	2	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	129.7355	0.273	6	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|F<1>}	129.4380	0.000	1	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	129.5558	0.459	18	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	129.6990	0.000	1	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	129.3260	0.000	1	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.7633	0.365	11	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	129.5800	0.575	4	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	129.8215	0.225	4	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,3|C<3>}	129.2236	0.383	14	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	128.7130	0.065	2	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	129.3158	0.265	4	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	130.4330	0.000	1	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	129.4943	0.536	3	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.2361	0.532	32	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.5550	0.000	1	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	128.8705	0.835	2	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|C<4>}	128.6853	0.578	3	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	128.9210	0.384	3	130.2314	0.462	765	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	129.4092	0.178	4	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	126.2583	1.149	3	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	130.3640	0.000	1	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	129.3205	0.221	4	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	131.2130	0.000	1	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	129.5415	0.335	8	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	130.0748	0.679	30	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	130.1188	0.354	10	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	130.1962	0.472	24	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	130.5197	0.073	4	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	131.6492	0.278	5	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	131.9745	0.599	2	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	129.0720	0.567	2	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	129.7110	0.000	1	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	129.5790	1.650	4	130.0018	1.051	103	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(O){1|H<1>,1|N<2>,2|C<3>}	131.7740	0.000	1	131.4467	0.335	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(O){1|H<1>,1|O<1>,2|C<3>}	131.2830	0.714	2	131.4467	0.335	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<2>,1|H<1>,3|C<3>}	129.7340	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	129.3095	0.547	2	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	129.4638	0.737	4	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<1>,2|C<3>}	130.2780	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	129.3610	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	130.8157	0.303	9	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	130.5785	0.985	2	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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<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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	129.9060	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	129.1530	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	129.8870	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,1|H<1>,3|C<3>}	130.2350	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<3>,3|C<3>}	130.9300	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	130.4950	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	129.8090	0.406	6	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	129.6795	0.535	27	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	130.5310	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	131.1310	0.751	3	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	129.7823	0.073	3	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	129.6930	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,4|C<3>}	129.4560	0.000	1	129.9643	0.475	68	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|C<4>,2|C<3>,2|H<1>}	128.9728	0.213	4	129.8978	0.348	84	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	129.9493	0.626	40	129.8978	0.348	84	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	130.4910	0.000	1	129.8978	0.348	84	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	129.9247	0.501	39	129.8978	0.348	84	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.9666	0.271	8	129.9666	0.073	8	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	130.2440	0.668	2	129.6933	0.689	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O){1|H<1>,1|O<1>,4|C<3>}	129.1425	0.639	2	129.6933	0.689	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.7980	0.000	1	129.6376	0.516	59	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	129.8110	0.000	1	129.6376	0.516	59	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	129.0945	0.878	2	129.6376	0.516	59	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.4145	1.165	2	129.6376	0.516	59	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	129.6631	0.673	47	129.6376	0.516	59	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	130.5280	0.989	2	129.6376	0.516	59	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,3|C<3>}	128.3500	0.116	2	129.6376	0.516	59	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	130.0350	0.153	2	129.6376	0.516	59	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(O){1|H<1>,1|O<1>,2|C<3>}	130.1820	1.443	4	130.1820	2.082	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|N<2>,2|C<3>}	131.0600	0.000	1	131.2985	0.364	19	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<1>,2|C<3>}	131.1746	0.353	14	131.2985	0.364	19	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<2>,2|C<3>}	131.3530	0.652	2	131.2985	0.364	19	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<1>,2|C<3>}	132.2305	1.576	2	131.2985	0.364	19	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pt)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pt)(O){1|H<1>,1|O<1>,2|C<3>}	130.3395	2.099	2	130.3395	4.407	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(O){1|H<1>,1|N<2>,2|C<3>}	131.2892	0.238	6	131.2892	0.057	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	128.2110	0.367	3	129.3671	0.585	62	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	129.5952	0.609	50	129.3671	0.585	62	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	128.7725	0.310	2	129.3671	0.585	62	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,1|H<1>,3|C<3>}	128.9480	0.000	1	129.3671	0.585	62	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	128.0290	0.371	5	129.3671	0.585	62	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	129.7330	0.000	1	129.3671	0.585	62	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	129.7806	0.390	8	129.7780	0.142	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.0080	0.116	2	129.7780	0.142	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	129.2970	0.000	1	129.7780	0.142	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6,6]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6,6]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	130.0317	0.916	4	130.0317	0.840	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	129.6820	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<2>,2|H<1>,4|C<3>}	128.6030	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	129.2560	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	129.7600	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	129.2075	0.237	2	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	129.0174	0.515	5	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	128.4610	0.616	4	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	128.5930	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,4|C<3>}	128.3795	1.141	2	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	127.9970	1.831	2	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.9563	0.223	3	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	129.8830	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.5670	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.2700	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	129.9255	0.134	4	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|N<2>}	129.7883	0.515	6	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.0737	0.586	103	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.9985	0.008	2	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.1390	0.274	4	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.9752	0.942	4	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	129.0060	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<2>,2|H<1>,4|C<3>}	129.5250	0.020	2	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	128.0240	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	129.0150	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|S<1>,4|C<3>}	129.8400	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Se<1>,1|H<1>,4|C<3>}	128.1440	0.000	1	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	129.0153	0.481	24	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	128.9162	0.961	8	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	128.9270	0.229	6	129.6876	0.650	194	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.2820	0.474	2	128.1014	0.693	9	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O){1|H<1>,5|C<3>}	127.7641	0.538	7	128.1014	0.693	9	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[6,6]C[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](C[5,6a]C[5,6a]C[6a])(N[5]N[6,6]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.4497	0.169	4	129.4497	0.029	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.5540	0.000	1	129.7889	0.299	8	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.7755	0.623	6	129.7889	0.299	8	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	130.1040	0.000	1	129.7889	0.299	8	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	130.2500	0.413	2	130.2500	0.171	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.8618	0.409	4	129.9613	0.125	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.1605	0.071	2	129.9613	0.125	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.0820	0.000	1	130.0820	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	128.2350	0.000	1	128.2350	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.8109	0.433	8	129.8109	0.187	8	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.5110	0.000	1	128.8915	0.182	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	128.7676	0.335	5	128.8915	0.182	6	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.0986	0.507	5	130.0836	0.185	9	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.9630	0.566	2	130.0836	0.185	9	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.3790	0.000	1	130.0836	0.185	9	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.9540	0.000	1	130.0836	0.185	9	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	127.0810	0.000	1	127.0810	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.7525	0.134	2	129.7525	0.018	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	130.8665	0.047	2	130.8665	0.002	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	126.2460	0.000	1	126.2460	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(O){1|Pd<4>,1|H<1>,5|C<3>}	124.2510	0.000	1	124.2510	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	125.5550	0.952	2	125.4137	0.513	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O){1|H<1>,1|O<1>,3|C<3>}	125.1310	0.000	1	125.4137	0.513	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	125.6837	0.480	3	125.6837	0.230	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O){1|H<1>,2|C<3>,2|O<1>}	127.2800	0.000	1	127.2800	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	126.5830	0.000	1	126.5645	0.001	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	126.5460	0.000	1	126.5645	0.001	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(O){1|H<1>,2|O<1>,4|C<3>}	126.5615	0.565	2	126.5615	0.319	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Br)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Br)(O){1|H<1>,2|C<3>,2|O<1>}	126.2700	0.667	3	126.2700	0.445	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	126.9761	0.363	40	126.8130	0.293	47	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	125.8810	0.448	7	126.8130	0.293	47	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O){1|H<1>,2|C<3>,2|O<1>}	127.2791	0.506	25	127.2791	0.256	25	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]I)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]I)(O){1|H<1>,2|C<3>,2|O<1>}	127.8357	0.611	9	127.8357	0.374	9	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Mn)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Mn)(O){1|H<1>,2|C<3>,2|O<1>}	127.6330	0.421	2	127.6330	0.178	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O){1|H<1>,2|C<3>,2|O<1>}	128.2740	0.000	1	128.2740	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O){1|H<1>,2|C<3>,2|O<1>}	127.6890	0.098	2	127.6963	0.239	20	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O){1|H<1>,2|C<3>,2|O<1>}	127.6971	0.516	18	127.6963	0.239	20	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(O){1|H<1>,2|C<3>,2|O<1>}	127.2600	0.000	1	127.2600	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Sn)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Sn<5>,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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Sn)(O){1|H<1>,2|C<3>,2|O<1>}	127.8880	0.000	1	127.8880	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,5|C<3>}	126.4080	0.000	1	126.4080	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	124.2675	0.063	2	124.2675	0.004	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	126.1250	0.000	1	123.7983	1.334	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	123.5873	1.033	3	123.7983	1.334	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	123.5680	1.024	6	123.7983	1.334	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,5|C<3>}	123.4860	0.000	1	123.7983	1.334	11	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	123.2852	0.318	6	123.7030	0.676	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	124.3310	0.000	1	123.7030	0.676	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0530	0.000	1	123.7030	0.676	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	125.6590	0.000	1	123.7030	0.676	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	123.2760	0.000	1	123.7030	0.676	10	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	123.9817	0.685	3	123.9817	0.469	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	130.8265	1.944	2	130.8265	3.779	2	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|N<2>}	132.3180	0.000	1	132.3180	0.000	1	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.0560	0.540	3	125.0560	0.292	3	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	123.1310	0.646	4	123.1310	0.417	4	129.6767	1.842	1818	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:S-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S){1|H<1>,1|O<1>,4|C<3>}	129.1760	0.000	1	129.1760	0.000	1	129.1760	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:Se-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Se)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Se){1|H<1>,1|O<1>,4|C<3>}	129.1650	0.000	1	129.1650	0.000	1	129.1650	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(H)	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](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(H){1|H<1>,1|P<4>,2|C<3>}	125.7120	0.000	1	125.7120	0.000	1	125.7120	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	125.1655	0.136	2	125.1655	0.019	2	125.1655	0.019	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5]-3:C[5,6a]-3:O-1:	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](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(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](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|B<5>,1|H<1>,1|O<1>,2|B<6>,2|C<3>,2|C<6>}	130.0725	0.112	2	130.0976	0.285	8	130.0976	0.285	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5]-3:C[5,6a]-3:O-1:	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](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(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](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<6>,1|H<1>,1|O<1>,2|C<3>,4|B<6>}	129.9615	0.562	2	130.0976	0.285	8	130.0976	0.285	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5]-3:C[5,6a]-3:O-1:	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](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(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](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|B<6>}	130.1782	0.730	4	130.0976	0.285	8	130.0976	0.285	8	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,1|I<1>,2|C<3>}	133.3650	0.000	1	133.3650	0.000	1	133.3650	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-1:	C[5,6a]-3:C[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|N<1>,1|O<1>,4|C<3>}	129.2930	0.000	1	129.2930	0.000	1	129.2930	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<3>,1|O<2>,2|O<1>}	131.9840	0.144	2	131.9840	0.021	2	131.9840	0.021	2	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,3|H<1>}	129.8940	0.000	1	129.8940	0.000	1	129.8940	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	128.5710	0.000	1	128.5710	0.000	1	128.5710	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	129.5737	0.319	7	129.5737	0.102	7	129.5762	0.109	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.5805	0.399	4	129.5805	0.159	4	129.5762	0.109	11	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	129.8197	0.170	3	129.8197	0.029	3	129.8197	0.029	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[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){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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	127.0460	0.000	1	127.0460	0.000	1	127.0460	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	132.2430	0.000	1	132.2430	0.000	1	132.2430	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5,6]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	131.1890	0.245	2	130.5513	1.250	3	130.5513	1.250	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5,6]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	129.2760	0.000	1	130.5513	1.250	3	130.5513	1.250	3	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	129.3640	0.774	2	129.3640	0.598	2	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.7053	0.514	4	130.1273	0.963	6	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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>,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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	128.9715	0.121	2	130.1273	0.963	6	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	130.5375	0.005	2	130.5375	0.000	2	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	130.7720	0.000	1	130.2610	0.522	2	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	129.7500	0.000	1	130.2610	0.522	2	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	130.2780	0.274	2	130.2780	0.075	2	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	124.5050	0.000	1	124.5050	0.000	1	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,3|H<1>}	132.0800	0.000	1	132.0800	0.000	1	129.8894	2.807	16	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,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[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.3480	0.000	1	129.3480	0.000	1	129.3480	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	133.6947	0.931	3	133.6947	0.868	3	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Pd<4>,1|H<1>,4|C<3>}	133.1730	0.000	1	133.1730	0.000	1	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,1|S<1>,2|C<3>}	136.3983	0.152	3	134.4063	2.001	26	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	132.8260	2.305	5	134.4063	2.001	26	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	134.5107	0.518	16	134.4063	2.001	26	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	134.5335	0.350	2	134.4063	2.001	26	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	135.5200	0.371	2	135.7066	0.622	5	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	136.4380	0.157	2	135.7066	0.622	5	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[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:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Pd<4>,1|H<1>,4|C<3>}	134.6170	0.000	1	135.7066	0.622	5	134.4958	1.926	35	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](N[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]N[5,6a]C[5])(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	130.3880	0.000	1	130.3880	0.000	1	130.3880	0.000	1	130.0313	3.709	3230	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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[5]-3:N-2:	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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a])	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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a]){1|H<1>,3|C<3>}	133.0413	0.654	3	133.0413	0.428	3	133.0413	0.428	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC){1|H<1>,3|C<3>}	134.0600	2.802	2	134.0600	7.849	2	134.5508	0.548	41	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	134.5141	0.697	16	134.5086	0.456	17	134.5508	0.548	41	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	134.4210	0.000	1	134.5086	0.456	17	134.5508	0.548	41	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN){1|H<1>,3|C<3>}	134.5235	0.823	6	134.5235	0.677	6	134.5508	0.548	41	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	135.0377	0.387	4	134.6586	0.365	7	134.5508	0.548	41	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	134.1530	0.447	3	134.6586	0.365	7	134.5508	0.548	41	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	134.6921	0.263	7	134.6921	0.069	7	134.5508	0.548	41	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN){1|H<1>,3|C<3>}	134.6105	0.176	2	134.6105	0.031	2	134.5508	0.548	41	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:O-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB){1|H<1>,3|C<3>}	135.8075	0.023	2	135.8075	0.001	2	135.7257	0.020	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	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]-3:O-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5])	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5]){1|H<1>,3|C<3>}	135.5620	0.000	1	135.5620	0.000	1	135.7257	0.020	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:C-2:	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC)	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	129.7320	0.000	1	129.7320	0.000	1	129.8260	0.007	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:C-2:	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC)	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,4|C<3>}	129.8730	0.000	2	129.8730	0.000	2	129.8260	0.007	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:N-2:	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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC)	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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|H<1>,1|N<3>,3|C<3>}	127.5300	0.000	1	127.5300	0.000	1	127.5300	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:S-2:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a]){1|H<1>,5|C<3>}	130.0160	0.000	1	130.0160	0.000	1	130.0160	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[4,5]-3:S-2:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(SC)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(SC){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	129.3610	0.000	1	129.3610	0.000	1	129.3610	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN){1|H<1>,2|C<3>,2|N<2>}	135.8030	0.000	1	135.8030	0.000	1	135.8030	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:As-2:	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](C[5,6a]C[5,6a]C[6a])2(AsC[6a])	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](C[5,6a]C[5,6a]C[6a])2(AsC[6a]){2|H<1>,4|C<3>}	131.1590	0.816	2	131.1590	0.666	2	131.1590	0.666	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:C-2:	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](C[5,6a]C[5,6a]C[6a])2(CC)	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](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	130.5515	0.468	24	130.5515	0.219	24	130.4383	0.214	32	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:C-2:	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](C[5,6a]C[5,6a]C[6a])2(CC[4])	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](C[5,6a]C[5,6a]C[6a])2(CC[4]){2|H<1>,4|C<3>}	130.0710	0.243	2	130.0710	0.059	2	130.4383	0.214	32	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:C-2:	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	129.8790	0.000	1	129.8790	0.000	1	130.4383	0.214	32	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:C-2:	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](C[5,6a]C[5,6a]C[6a])2(CN)	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](C[5,6a]C[5,6a]C[6a])2(CN){2|H<1>,4|C<3>}	130.0740	0.064	2	130.2357	0.037	4	130.4383	0.214	32	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:C-2:	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](C[5,6a]C[5,6a]C[6a])2(CN)	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](C[5,6a]C[5,6a]C[6a])2(CN){2|H<1>,4|C<3>}	130.3975	0.062	2	130.2357	0.037	4	130.4383	0.214	32	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:C-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[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	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](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	129.8270	0.000	1	129.8270	0.000	1	130.4383	0.214	32	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN){1|H<1>,1|N<2>,3|C<3>}	130.5190	0.000	1	130.5190	0.000	1	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])2(NC)	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](C[5,6a]C[5,6a]C[6a])2(NC){2|H<1>,4|C<3>}	130.9790	2.981	2	130.9790	8.887	2	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])2(NC[6a])	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](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	130.8065	1.382	16	130.8065	1.911	16	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])2(NN)	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](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	131.6966	1.167	30	131.6966	1.361	30	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])2(NO)	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](C[5,6a]C[5,6a]C[6a])2(NO){2|H<1>,4|C<3>}	132.7950	2.284	6	132.7950	5.218	6	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])2(NS)	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](C[5,6a]C[5,6a]C[6a])2(NS){2|H<1>,4|C<3>}	130.9830	1.053	7	130.9830	1.108	7	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(NC[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](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|C<3>,2|H<1>,2|N<2>}	132.7684	1.203	8	132.7684	1.448	8	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(NN)	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](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	133.0335	1.194	10	133.0335	1.425	10	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(NN[5a])	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](C[5,6a]C[5,6a]C[6a])2(NN[5a]){2|C<3>,2|H<1>,2|N<2>}	133.4655	2.601	2	133.4655	6.768	2	131.8213	2.437	82	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:P-2:	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](C[5,6a]C[5,6a]C[6a])2(PC[6a])	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](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	131.0805	0.845	2	131.0805	0.714	2	131.1308	0.251	4	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:P-2:	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](C[5,6a]C[5,6a]C[6a])2(PC[6a])	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](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	131.1810	0.167	2	131.1810	0.028	2	131.1308	0.251	4	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,5|C<3>}	134.5100	0.000	1	134.3127	1.035	4	133.6888	2.723	5	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|S<2>,5|C<3>}	133.5560	0.433	2	134.3127	1.035	4	133.6888	2.723	5	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	135.6290	0.000	1	134.3127	1.035	4	133.6888	2.723	5	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5]){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	131.1930	0.000	1	131.1930	0.000	1	133.6888	2.723	5	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:O[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	132.5710	0.000	1	132.5710	0.000	1	133.1563	0.508	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:O[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	132.9480	0.000	1	133.4490	0.502	2	133.1563	0.508	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:O[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	133.9500	0.000	1	133.4490	0.502	2	133.1563	0.508	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6])	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6]){3|H<1>,6|C<3>}	132.5410	0.000	2	132.5410	0.000	2	131.6666	1.248	7	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6])	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6]){3|H<1>,6|C<3>}	132.3680	0.000	2	132.3680	0.000	2	131.6666	1.248	7	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|O<1>,3|H<1>,4|C<3>}	131.6000	0.000	1	130.6160	0.833	3	131.6666	1.248	7	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	129.7970	0.000	1	130.6160	0.833	3	131.6666	1.248	7	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	130.4510	0.000	1	130.6160	0.833	3	131.6666	1.248	7	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:O[5]-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]I[5])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]I[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	123.2440	0.000	1	123.2440	0.000	1	123.2440	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[6]-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(N[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(N[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	136.7310	0.000	1	136.7310	0.000	1	136.7310	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])2(CC)	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](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	129.8995	0.200	2	129.8995	0.040	2	129.8995	0.040	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:P-2:	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](C[5,6a]C[5,6a]C[6a])2(PC[6a])	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](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	132.0455	0.704	2	132.0455	0.495	2	132.0455	0.495	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:S-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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SC)	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SC){1|H<1>,2|C<3>}	127.3330	0.000	1	127.3330	0.000	1	127.3330	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:Se-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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SeC)	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SeC){1|H<1>,2|C<3>}	126.8605	0.186	2	126.8605	0.035	2	126.8605	0.035	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])2(CC)	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](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	129.9720	0.997	3	129.9720	0.994	3	129.9720	0.994	3	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|Cl<1>,1|C<4>,2|C<3>}	133.6910	0.328	2	133.6910	0.108	2	133.6910	0.108	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:F-1:	C[5,6a]-3:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC){1|F<1>,1|O<1>,2|C<3>}	132.6380	0.000	1	132.6380	0.000	1	132.6380	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	135.1550	0.000	1	135.1550	0.000	1	135.1550	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CN){1|H<1>,2|C<3>,2|C<4>}	129.6070	0.000	1	129.6070	0.000	1	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC){1|C<4>,1|H<1>,3|C<3>}	130.6220	0.000	1	130.6220	0.000	1	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN){1|N<3>,2|C<3>,2|H<1>}	131.8520	0.000	1	131.8520	0.000	1	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC){2|H<1>,3|C<3>}	131.2060	0.000	1	131.2060	0.000	1	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CN){1|H<1>,1|N<2>,2|C<3>}	129.6110	0.000	1	129.6110	0.000	1	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CN){1|C<4>,1|H<1>,2|C<3>}	129.8055	0.722	2	129.8055	0.521	2	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|N<3>,2|H<1>,4|C<3>}	130.9020	0.000	1	130.8665	0.003	2	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|H<1>,1|O<1>,4|C<3>}	130.8310	0.000	1	130.8665	0.003	2	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|C<2>,1|H<1>,5|C<3>}	130.8150	0.000	1	130.8150	0.000	1	130.5057	0.643	10	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|H<1>,3|C<3>}	131.4550	0.000	1	131.4550	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS){1|H<1>,3|C<3>}	132.4430	0.000	1	132.4430	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|C<2>,1|H<1>,2|C<3>}	132.4940	0.000	1	132.4940	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN){1|H<1>,1|N<2>,2|C<3>}	130.6875	0.469	2	130.6875	0.220	2	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]){1|H<1>,5|C<3>}	132.9420	0.000	1	132.9420	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|O<2>,4|C<3>}	132.9890	0.000	1	132.3967	0.976	3	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|S<4>,4|C<3>}	132.1005	1.194	2	132.3967	0.976	3	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	131.9310	0.051	2	131.9310	0.003	2	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	133.4260	0.000	1	133.4260	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	132.3293	0.610	3	132.3293	0.372	3	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	133.4600	0.000	1	133.4600	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	133.0490	0.076	2	133.0490	0.006	2	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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]Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	132.8192	0.418	5	132.8192	0.175	5	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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]Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP){1|C<4>,1|H<1>,2|C<3>}	132.3600	0.000	1	132.3600	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	134.1000	0.000	1	134.1000	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	132.9449	0.618	8	132.9449	0.382	8	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	133.5530	0.000	1	133.5530	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	134.5180	0.071	2	134.5180	0.005	2	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	134.6280	0.000	1	134.6280	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|H<1>,2|C<3>}	136.0710	0.000	1	136.0710	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	132.0140	0.092	2	132.0140	0.008	2	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a]){2|C<3>,2|H<1>}	134.5820	0.000	1	134.5820	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6]){2|C<3>,2|H<1>}	133.4705	1.989	2	133.4705	3.956	2	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	133.7515	0.401	10	133.8945	0.187	18	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|H<1>}	133.9962	0.467	6	133.8945	0.187	18	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|H<1>,3|C<3>}	134.3045	0.177	2	133.8945	0.187	18	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	133.8400	0.000	1	133.2753	0.432	42	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	133.2609	0.364	12	133.2753	0.432	42	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	133.8920	0.000	1	133.2753	0.432	42	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	133.2742	0.633	26	133.2753	0.432	42	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	132.7855	2.249	2	133.2753	0.432	42	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){1|C<4>,1|H<1>,2|C<3>}	134.2093	0.302	3	134.2110	0.048	5	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	134.2135	0.098	2	134.2110	0.048	5	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS){1|C<4>,1|H<1>,2|C<3>}	133.7010	0.000	1	133.7010	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,2|C<3>}	133.3510	0.000	1	133.3510	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	133.0322	0.657	5	133.0322	0.432	5	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	131.9370	0.542	2	131.9370	0.293	2	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	133.5410	0.000	1	133.5410	0.000	1	133.2460	0.827	118	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	130.4740	0.000	1	130.4740	0.000	1	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OFe)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OFe){2|C<3>,3|H<1>}	129.4250	0.000	1	129.4250	0.000	1	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	130.9475	0.295	2	131.1873	0.216	3	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	131.6670	0.000	1	131.1873	0.216	3	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	130.6005	0.202	2	130.6005	0.041	2	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu){1|H<1>,1|O<1>,2|C<3>}	130.4666	0.629	5	130.4666	0.395	5	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH){1|H<1>,1|O<1>,4|C<3>}	131.9550	0.000	1	131.9550	0.000	1	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(ONi)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(ONi){1|H<1>,1|O<1>,2|C<3>}	130.5070	0.000	1	130.5070	0.000	1	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB){1|H<1>,4|C<3>}	132.4425	0.497	2	132.4425	0.247	2	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH){1|H<1>,4|C<3>}	130.7830	0.000	1	130.7830	0.000	1	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a]){1|H<1>,1|N<2>,4|C<3>}	131.3550	0.000	1	131.3550	0.000	1	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-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]Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	129.1220	0.000	1	128.7090	0.341	2	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-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]Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,2|C<3>,2|O<1>}	128.2960	0.000	1	128.7090	0.341	2	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	128.4160	0.000	1	128.4160	0.000	1	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	125.2510	0.407	2	125.2510	0.166	2	130.1224	3.567	23	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:S-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]){2|C<3>,3|H<1>}	131.3500	0.000	1	131.3500	0.000	1	132.6037	1.373	4	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:S-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SC[6a]){1|H<1>,1|O<1>,2|C<3>}	132.7520	0.000	1	132.7520	0.000	1	132.6037	1.373	4	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:S-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC){1|H<1>,1|O<1>,4|C<3>}	132.1780	0.000	1	132.1780	0.000	1	132.6037	1.373	4	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:S-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC){1|H<1>,2|C<3>}	134.1350	0.000	1	134.1350	0.000	1	132.6037	1.373	4	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(NC[6a]C[5])(N[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(NC[6a]C[5])(N[5]S[5]){1|H<1>,2|C<3>,2|O<1>}	131.1570	0.767	2	131.1570	0.588	2	131.1570	0.588	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	131.6770	0.245	2	131.6770	0.060	2	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	132.1713	1.493	3	132.1713	2.229	3	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	132.0000	0.000	1	132.0000	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH){1|H<1>,1|O<1>,2|C<3>}	130.8410	0.000	1	130.8410	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.1195	1.225	2	131.2192	0.696	4	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	131.3190	0.740	2	131.2192	0.696	4	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	131.7070	0.000	2	131.4187	0.138	4	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	131.1305	0.288	2	131.4187	0.138	4	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(NC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(NC){1|H<1>,1|O<1>,2|C<3>}	131.3190	0.000	1	131.3190	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	130.9110	0.615	2	130.9110	0.378	2	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6]){1|N<2>,2|C<3>,2|H<1>}	131.3810	0.000	1	131.3810	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ir)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ir)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	132.7460	0.000	1	132.7460	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN){2|C<3>,3|H<1>}	128.7500	0.000	1	128.7500	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	130.5445	0.695	2	130.5445	0.483	2	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC){1|H<1>,1|O<1>,2|C<3>}	132.1890	0.000	1	132.1890	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC[6a]){2|C<3>,3|H<1>}	133.2490	0.000	1	133.2490	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5]){1|H<1>,1|O<1>,2|C<3>}	131.1295	0.330	4	131.1295	0.109	4	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5a]){1|H<1>,1|O<1>,2|C<3>}	130.2025	0.152	2	130.2025	0.023	2	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	131.5275	0.094	2	131.5275	0.009	2	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a]){1|N<2>,3|C<3>,3|H<1>}	130.4710	0.000	1	130.4710	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC){1|H<1>,1|O<1>,4|C<3>}	133.8700	0.000	1	133.8700	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|H<1>,1|O<1>,4|C<3>}	132.4450	0.000	1	131.8195	0.783	2	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|N<2>,3|C<3>,3|H<1>}	131.1940	0.000	1	131.8195	0.783	2	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5]){2|C<3>,3|H<1>}	130.1980	0.000	1	130.1980	0.000	1	131.3674	1.041	38	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(N[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(N[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	134.9125	0.070	2	134.9125	0.005	2	134.9125	0.005	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OPd)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	130.4970	0.212	2	130.4970	0.045	2	129.1808	2.922	11	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(ORe)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(ORe){2|C<3>,3|H<1>}	129.5880	0.000	1	129.5880	0.000	1	129.1808	2.922	11	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(OPd)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(OPd){1|H<1>,1|O<1>,2|C<3>}	131.7525	0.299	2	131.7525	0.089	2	129.1808	2.922	11	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:O-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(OPd)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(OPd){1|H<1>,2|C<3>,2|O<1>}	127.8170	0.463	6	127.8170	0.214	6	129.1808	2.922	11	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:N-2:	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC)	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|S<2>,2|H<1>,3|C<3>}	129.4910	0.000	1	129.4910	0.000	1	129.4910	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:O-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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH){1|H<1>,2|C<3>}	134.7320	0.000	1	134.7320	0.000	1	134.7320	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,3|C<3>}	134.4100	0.000	1	134.4100	0.000	1	134.4100	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,6|C<3>}	133.3955	0.719	2	133.3955	0.517	2	133.3955	0.517	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[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](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5])	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5]){2|H<1>,4|C<3>}	131.9080	0.000	1	131.9080	0.000	1	131.9080	0.000	1	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[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-2:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC){1|Rh<4>,1|H<1>,2|C<3>}	135.0615	0.506	2	135.0615	0.256	2	135.0615	0.256	2	132.1823	3.877	421	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:	C[5,6a]-3:C[5]-3:C[6a]-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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2)	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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	135.3120	0.000	1	135.3120	0.000	1	135.3120	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[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](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	135.9120	0.000	1	135.9120	0.000	1	135.9120	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C[6]-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2){1|H<1>,9|C<3>}	134.8545	0.933	4	134.8545	0.870	4	134.8545	0.870	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C[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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2){2|H<1>,9|C<3>}	135.3190	0.000	1	135.3190	0.000	1	135.2516	0.054	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C[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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2){1|H<1>,9|C<3>}	135.2267	0.322	3	135.2267	0.104	3	135.2516	0.054	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C[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](C[5,6a]C[5,6a,6a]C[6a])(C[5]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]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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	135.2590	0.000	1	135.2590	0.000	1	135.2516	0.054	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5a]-3:C[5]-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](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	135.8550	0.000	1	135.8550	0.000	1	135.8550	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6a]-3:C[5]-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](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]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){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](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	135.8820	0.000	1	135.8820	0.000	1	135.8820	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-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]C)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O){1|H<1>,3|C<3>}	135.6260	0.170	2	135.6260	0.029	2	135.6260	0.029	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C[5]-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2){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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	137.1500	0.004	2	137.1500	0.000	2	137.1500	0.000	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni){1|H<1>,3|C<3>}	138.6840	0.010	2	138.6840	0.000	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C){1|H<1>,3|C<3>}	137.3155	0.237	2	137.3155	0.056	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[3]Pd)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[3]Pd){1|H<1>,3|C<3>}	135.7990	0.888	2	135.7990	0.789	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[4]Zn)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[4]Zn){1|H<1>,3|C<3>}	135.0005	0.203	2	135.0005	0.041	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ag)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ag){1|H<1>,3|C<3>}	134.6820	0.000	1	134.6820	0.000	1	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al){1|H<1>,3|C<3>}	136.0330	0.000	1	136.1953	0.020	3	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al){1|H<1>,3|C<3>}	136.2765	0.035	2	136.1953	0.020	3	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C){1|H<1>,3|C<3>}	137.1750	0.000	1	137.1750	0.000	1	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co){1|H<1>,3|C<3>}	135.8541	0.857	26	135.8541	0.734	26	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cr)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cr){1|H<1>,3|C<3>}	136.7743	0.473	3	136.7743	0.224	3	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cu)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cu){1|H<1>,3|C<3>}	135.1471	0.419	14	135.1471	0.176	14	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe){1|H<1>,3|C<3>}	135.2084	0.808	27	135.2084	0.653	27	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H){1|H<1>,3|C<3>}	136.2980	0.000	1	136.2980	0.000	1	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In){1|H<1>,3|C<3>}	135.1130	0.000	1	135.1130	0.000	1	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ir)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ir){1|H<1>,3|C<3>}	135.3642	0.391	6	135.3642	0.153	6	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mn)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mn){1|H<1>,3|C<3>}	134.8730	0.000	1	134.8730	0.000	1	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mo)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mo){1|H<1>,3|C<3>}	135.6550	0.613	4	135.6550	0.375	4	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni){1|H<1>,3|C<3>}	135.4108	0.982	103	135.4108	0.964	103	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pd)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pd){1|H<1>,3|C<3>}	135.5142	0.870	14	135.5142	0.758	14	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pt)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pt){1|H<1>,3|C<3>}	135.6533	0.888	16	135.6533	0.788	16	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ru)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ru){1|H<1>,3|C<3>}	135.2582	0.592	5	135.2582	0.350	5	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sb)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sb){1|H<1>,3|C<3>}	134.5640	0.027	2	134.5640	0.001	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sn)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sn){1|H<1>,3|C<3>}	134.7460	0.236	2	134.7460	0.056	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Te)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Te){1|H<1>,3|C<3>}	134.9472	0.514	4	134.9472	0.264	4	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn){1|H<1>,3|C<3>}	134.8563	0.445	32	134.8563	0.198	32	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoC)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoC){1|H<1>,3|C<3>}	136.7025	0.346	2	136.7025	0.120	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoO)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoO){1|H<1>,3|C<3>}	135.2210	0.000	1	135.2210	0.000	1	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NFeC)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NFeC){1|H<1>,3|C<3>}	135.3733	0.610	10	135.3733	0.372	10	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnC)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnC){1|H<1>,3|C<3>}	134.4750	0.000	1	134.4750	0.000	1	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnO)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnO){1|H<1>,3|C<3>}	134.0547	0.246	3	134.0547	0.061	3	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMoSi)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMoSi){1|H<1>,3|C<3>}	134.6330	0.025	2	134.6330	0.001	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NZnC)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NZnC){1|H<1>,3|C<3>}	135.2385	0.062	2	135.2385	0.004	2	135.4039	0.841	295	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	129.6780	0.000	2	129.6780	0.000	2	130.4314	0.502	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	130.9810	0.000	1	130.9810	0.000	1	130.4314	0.502	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	131.1470	0.000	1	131.1470	0.000	1	130.4314	0.502	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	130.6730	0.000	1	130.6730	0.000	1	130.4314	0.502	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[4]-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](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	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](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){2|H<1>,7|C<3>}	130.7740	0.211	2	130.7740	0.044	2	130.7740	0.044	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	132.3655	0.245	2	132.3655	0.060	2	132.3655	0.060	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	129.4760	0.000	1	129.2660	0.088	2	129.3930	0.092	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	129.0560	0.000	1	129.2660	0.088	2	129.3930	0.092	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	129.6470	0.000	1	129.6470	0.000	1	129.3930	0.092	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6a]-3:C[5]-3:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	130.9980	0.000	1	130.9980	0.000	1	130.9980	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	129.9050	0.000	1	129.9050	0.000	1	129.9050	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	132.4830	0.000	1	132.4830	0.000	1	132.4830	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	130.6815	0.260	2	130.6815	0.067	2	130.4213	0.237	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	129.9010	0.000	1	129.9010	0.000	1	130.4213	0.237	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	130.5535	0.131	2	130.5535	0.017	2	130.5535	0.017	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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[6]-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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2){2|Br<1>,8|C<3>}	133.6455	0.296	2	133.6455	0.088	2	133.6455	0.088	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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[5,6]-3: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](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	133.2810	0.000	1	133.2810	0.000	1	132.8025	0.458	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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[5,6]-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]Cl)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	132.3240	0.000	1	132.3240	0.000	1	132.8025	0.458	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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[5,5,6]-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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){3|Cl<1>,2|C<4>,7|C<3>}	131.8210	0.000	1	131.8210	0.000	1	131.8210	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Br<1>,3|F<1>,6|C<3>}	130.2390	0.000	1	129.7733	0.280	3	129.7733	0.280	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|F<1>,7|C<3>}	129.5405	0.484	2	129.7733	0.280	3	129.7733	0.280	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]N[5]Mg)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]N[5]Mg){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	135.4300	0.224	9	135.4300	0.050	9	135.4300	0.050	9	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	128.4860	0.000	1	128.4860	0.000	1	127.4493	8.747	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	131.0840	0.000	1	131.0840	0.000	1	127.4493	8.747	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	125.1135	1.022	2	125.1135	1.044	2	127.4493	8.747	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC)	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,4|C<3>}	131.5300	0.000	1	131.5300	0.000	1	130.0887	1.818	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(COO)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,5|C<3>}	129.8780	0.000	1	129.8780	0.000	1	130.0887	1.818	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS)	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS){1|H<1>,4|C<3>}	128.8580	0.000	1	128.8580	0.000	1	130.0887	1.818	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2)	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2){1|H<1>,6|C<3>}	131.2610	0.112	3	131.2610	0.012	3	131.2610	0.012	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<4>,2|H<1>,6|C<3>}	131.3250	0.260	2	131.2500	0.034	4	131.2148	0.032	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	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](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<5>,2|H<1>,6|C<3>}	131.1750	0.113	2	131.2500	0.034	4	131.2148	0.032	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	131.0740	0.000	1	131.0740	0.000	1	131.2148	0.032	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	129.8480	0.112	2	130.0267	0.102	3	130.0941	0.247	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	130.3840	0.000	1	130.0267	0.102	3	130.0941	0.247	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.4577	0.198	3	130.4577	0.039	3	130.0941	0.247	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.2060	0.000	1	129.2060	0.000	1	130.0941	0.247	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.0080	0.000	1	130.0080	0.000	1	130.5820	0.408	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	130.4680	0.000	1	130.8690	0.322	2	130.5820	0.408	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	131.2700	0.000	1	130.8690	0.322	2	130.5820	0.408	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	129.7670	0.000	1	129.7670	0.000	1	131.1685	1.682	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|I<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	130.1890	0.000	1	131.3242	1.619	9	131.1685	1.682	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	131.4210	0.000	1	131.3242	1.619	9	131.1685	1.682	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	129.6460	0.000	1	131.3242	1.619	9	131.1685	1.682	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	131.6960	0.000	1	131.3242	1.619	9	131.1685	1.682	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	131.9218	1.557	4	131.3242	1.619	9	131.1685	1.682	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	131.2790	0.000	1	131.3242	1.619	9	131.1685	1.682	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]S[5]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	133.4970	0.000	1	133.4970	0.000	1	133.4970	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|C<4>,1|S<2>,2|H<1>,5|C<3>}	132.0355	0.029	2	132.2884	2.129	5	132.2884	2.129	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|O<2>,4|H<1>,5|C<3>}	133.0650	0.000	1	132.2884	2.129	5	132.2884	2.129	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|O<2>,3|H<1>,5|C<3>}	132.1530	2.783	2	132.2884	2.129	5	132.2884	2.129	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5,6,6]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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	130.2110	0.000	1	130.2110	0.000	1	130.5317	0.378	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	130.3280	0.000	1	130.0537	0.146	3	130.5317	0.378	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,2|O<2>,7|C<3>}	130.2150	0.000	1	130.0537	0.146	3	130.5317	0.378	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	129.6180	0.000	1	130.0537	0.146	3	130.5317	0.378	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	131.4190	0.000	1	131.4190	0.000	1	130.5317	0.378	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	130.9655	0.162	2	130.9655	0.026	2	130.5317	0.378	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	132.3805	0.313	2	132.3805	0.098	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|C<4>,1|H<1>,4|C<3>}	131.8570	0.000	1	131.6310	0.439	7	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	131.5933	0.717	6	131.6310	0.439	7	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[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](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	131.6530	1.792	2	131.6530	3.211	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	130.4905	0.493	2	130.0070	0.461	4	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	129.5235	0.453	2	130.0070	0.461	4	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[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|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](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	130.4940	0.000	1	129.8455	0.841	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[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](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	129.1970	0.000	1	129.8455	0.841	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC){1|H<1>,5|C<3>}	130.5800	0.000	1	130.5800	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,1|N<2>,4|C<3>}	132.5010	0.000	1	131.8736	0.298	30	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	131.3961	0.455	7	131.8736	0.298	30	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	131.9970	0.491	22	131.8736	0.298	30	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCH)	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](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	130.9740	0.000	1	130.7798	0.806	6	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCH)	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](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	130.7410	0.998	5	130.7798	0.806	6	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCO)	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](C[5,6a]C[5,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	133.2897	0.928	4	133.2897	0.861	4	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCS)	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](C[5,6a]C[5,6a]C[6a])2(CCS){2|H<1>,4|C<3>}	132.1175	0.238	2	132.1175	0.057	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[5]2)	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](C[5,6a]C[5,6a]C[6a])2(CC[5]2){2|H<1>,4|C<3>}	131.6740	0.170	4	131.6740	0.029	4	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[5]C)	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](C[5,6a]C[5,6a]C[6a])2(CC[5]C){2|H<1>,4|C<3>}	132.7115	0.491	2	132.5345	0.452	4	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[5]C)	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](C[5,6a]C[5,6a]C[6a])2(CC[5]C){2|H<1>,4|C<3>}	132.3575	0.995	2	132.5345	0.452	4	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[5]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](C[5,6a]C[5,6a]C[6a])2(CC[5]H){2|H<1>,4|C<3>}	131.8645	1.032	2	131.8645	1.064	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[5a]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](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	129.9820	2.940	4	129.9820	8.643	4	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	132.3010	0.074	2	132.4328	0.115	26	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	132.6620	0.153	2	132.4328	0.115	26	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	132.4239	0.359	22	132.4328	0.115	26	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	132.6968	0.800	8	132.6968	0.641	8	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6])	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](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6]){2|H<1>,4|C<3>}	132.5405	0.380	2	132.5405	0.144	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[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](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	130.9035	0.206	2	131.4529	0.774	27	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[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](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	131.4968	0.900	25	131.4529	0.774	27	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[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|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](C[5,6a]C[5,6a]C[6a])2(CC[6a]N){2|H<1>,4|C<3>}	132.6965	0.702	2	132.6965	0.493	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CHN)	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](C[5,6a]C[5,6a]C[6a])2(CHN){2|H<1>,4|C<3>}	132.0285	1.201	2	132.0285	1.443	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CHS)	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](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	132.0993	0.486	3	131.7663	0.848	7	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CHS)	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](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	131.5165	1.160	4	131.7663	0.848	7	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CPP)	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](C[5,6a]C[5,6a]C[6a])2(CPP){2|H<1>,4|C<3>}	131.7345	0.944	2	131.7345	0.891	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CSS)	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](C[5,6a]C[5,6a]C[6a])2(CSS){2|H<1>,4|C<3>}	132.0270	0.150	2	132.0270	0.022	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC)	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](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,5|C<3>}	131.2500	0.000	1	131.2500	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|H<1>,5|C<3>}	130.8560	0.000	1	130.8560	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	129.1480	0.595	6	129.1480	0.354	6	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	131.7550	0.000	1	131.7550	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCH)	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](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	129.6280	0.000	1	129.6280	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CHH)	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](C[5,6a]C[5,6a]C[6a])2(CHH){1|H<1>,1|O<2>,4|C<3>}	131.1990	0.000	1	131.1990	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CHS)	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](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	131.3093	0.225	3	131.0411	1.354	7	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CHS)	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](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	130.8400	1.596	4	131.0411	1.354	7	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH)	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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|O<2>,4|C<3>}	130.4790	0.000	1	130.4790	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	130.3190	0.216	2	130.3190	0.047	2	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-3:	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](C[5,6a]C[5,6a]C[6a])2(CSS)	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](C[5,6a]C[5,6a]C[6a])2(CSS){2|C<3>,2|H<1>,2|N<2>}	133.6678	0.309	8	133.6678	0.095	8	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CCH)	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](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	131.1150	0.000	1	131.1150	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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-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](C[5,6a]C[5,6a]C[6a])2(CC[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){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](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	128.0750	0.000	1	128.0750	0.000	1	131.7133	1.508	183	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[4]-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](C[5,6a]C[5,6a]C[6a])2(C[4]C[4,5]C[4])	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](C[5,6a]C[5,6a]C[6a])2(C[4]C[4,5]C[4]){1|C<4>,2|H<1>,7|C<3>}	131.5390	0.435	4	131.5390	0.190	4	131.4085	0.389	12	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[4]-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](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	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](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){1|C<4>,3|H<1>,6|C<3>}	131.8445	0.425	4	131.3433	0.516	8	131.4085	0.389	12	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[4]-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](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	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](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){2|H<1>,7|C<3>}	130.8420	0.595	4	131.3433	0.516	8	131.4085	0.389	12	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	130.7620	0.546	2	130.7620	0.298	2	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	132.2800	0.000	1	132.2800	0.000	1	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,2|H<1>,8|C<3>}	131.6153	0.484	11	131.9344	0.403	17	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	132.2830	0.167	4	131.9344	0.403	17	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	132.9925	0.419	2	131.9344	0.403	17	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	134.9060	2.178	2	133.9383	5.181	3	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	132.0030	0.000	1	133.9383	5.181	3	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]N[5])	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]N[5]){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	132.3975	0.487	2	132.3975	0.237	2	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	132.9710	0.330	5	133.1518	0.131	9	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	133.3777	0.286	4	133.1518	0.131	9	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5]-3:	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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,2|N<2>,4|C<3>}	133.9497	0.491	12	133.9497	0.241	12	132.8057	1.412	46	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a])	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](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	130.0770	0.000	1	130.0770	0.000	1	130.0770	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6])	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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6]){2|H<1>,7|C<3>}	132.3640	0.000	1	132.3640	0.000	1	132.8659	0.730	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,8|C<3>}	133.3492	0.545	6	133.3492	0.297	6	132.8659	0.730	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]C[6])	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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]C[6]){2|C<4>,3|H<1>,6|C<3>}	132.3195	1.064	2	132.3195	1.133	2	132.8659	0.730	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6])	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](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6]){2|H<1>,7|C<3>}	131.5610	0.000	1	131.5610	0.000	1	132.8659	0.730	10	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	132.7445	0.276	8	132.7445	0.076	8	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	130.4118	0.746	11	130.2226	0.586	14	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.5287	0.320	3	130.2226	0.586	14	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5a,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]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](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	129.2400	0.000	1	129.2400	0.000	1	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	128.8570	0.000	1	130.0537	1.638	3	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|O<2>,7|C<3>}	129.9010	0.000	1	130.0537	1.638	3	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]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]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](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	131.4030	0.000	1	130.0537	1.638	3	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	129.8020	0.000	1	129.2645	0.388	4	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	129.0853	0.625	3	129.2645	0.388	4	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	129.7610	0.000	1	129.7610	0.000	1	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]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]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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	129.4240	0.000	1	129.4240	0.000	1	130.6474	2.041	32	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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:N-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](C[5,6a]C[5,6a]C[6a])2(NC[6]O)	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](C[5,6a]C[5,6a]C[6a])2(NC[6]O){2|H<1>,4|C<3>}	133.3745	1.604	2	133.3745	2.574	2	131.8455	1.606	22	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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:N-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](C[5,6a]C[5,6a]C[6a])2(NCuC)	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](C[5,6a]C[5,6a]C[6a])2(NCuC){2|H<1>,4|C<3>}	131.4095	1.477	4	131.4095	2.182	4	131.8455	1.606	22	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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:N-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](C[5,6a]C[5,6a]C[6a])2(NNiN)	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](C[5,6a]C[5,6a]C[6a])2(NNiN){2|H<1>,4|C<3>}	131.3234	0.897	12	131.3234	0.805	12	131.8455	1.606	22	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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:N-3:	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](C[5,6a]C[5,6a]C[6a])2(NPdN)	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](C[5,6a]C[5,6a]C[6a])2(NPdN){2|C<3>,2|H<1>,2|N<2>}	133.0835	0.549	4	133.0835	0.302	4	131.8455	1.606	22	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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:N[5]-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](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]N[5])	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](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]N[5]){2|C<4>,3|H<1>,5|C<3>}	133.2690	1.332	2	133.2690	1.775	2	133.2690	1.775	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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:B[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(B[5]O[5]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(B[5]O[5]2){1|H<1>,2|C<4>,5|C<3>}	129.7120	0.000	1	129.7120	0.000	1	129.7120	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	131.5740	0.000	1	131.5740	0.000	1	128.7687	3.055	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,7|C<3>}	130.5350	0.000	1	130.5350	0.000	1	128.7687	3.055	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	126.4890	0.000	1	126.4890	0.000	1	128.7687	3.055	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[5a]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,2|O<1>,5|C<3>}	128.1958	0.525	4	128.1958	0.276	4	128.7687	3.055	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	135.2535	0.640	4	135.2155	0.489	6	135.4331	0.739	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	135.1395	1.095	2	135.2155	0.489	6	135.4331	0.739	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2){2|H<1>,4|C<3>}	136.7390	0.000	1	136.7390	0.000	1	135.4331	0.739	7	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	131.0010	0.000	1	131.0010	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	131.1730	0.000	1	131.1730	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	130.8825	0.503	2	130.8825	0.253	2	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	131.3790	0.000	1	131.3742	0.151	6	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	130.9680	0.000	1	131.3742	0.151	6	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	131.4745	0.429	4	131.3742	0.151	6	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	132.0410	0.000	1	132.0493	0.096	6	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	132.1410	0.000	1	132.0493	0.096	6	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	132.0780	0.120	2	132.0493	0.096	6	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.9790	0.669	2	132.0493	0.096	6	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	130.5963	0.324	3	130.5913	0.070	4	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	130.5760	0.000	1	130.5913	0.070	4	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	130.6650	0.000	1	130.6650	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	129.8260	0.000	1	129.8260	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	131.0900	0.000	1	131.3345	0.120	2	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	131.5790	0.000	1	131.3345	0.120	2	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	131.5765	0.220	2	131.5765	0.048	2	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.2490	0.000	1	131.2490	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	128.0250	0.000	1	128.0250	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	132.5600	0.000	1	132.5600	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	130.4900	0.000	1	130.4900	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	131.9540	0.000	1	130.7150	0.620	16	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	130.0110	0.000	1	130.7150	0.620	16	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	131.4550	0.161	2	130.7150	0.620	16	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	131.8915	0.110	2	130.7150	0.620	16	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.1380	0.000	1	130.7150	0.620	16	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.3546	0.410	8	130.7150	0.620	16	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	129.8070	0.000	1	130.7150	0.620	16	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	126.3240	0.000	1	126.3240	0.000	1	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	124.9370	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	127.1480	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	126.6340	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	126.3770	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	126.6240	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	127.6710	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,3|H<1>,7|C<3>}	127.1955	0.711	2	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,4|H<1>,6|C<3>}	127.0810	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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){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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	126.1120	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(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){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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	127.0520	0.000	1	126.7297	0.597	11	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	128.4704	0.442	8	128.4704	0.195	8	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	124.5670	0.000	1	124.6438	0.171	5	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	124.6630	0.475	4	124.6438	0.171	5	129.5529	5.280	71	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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:N[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,8|C<3>}	132.9215	0.598	2	132.9215	0.357	2	133.5925	0.773	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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: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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	134.2635	0.402	2	134.2635	0.162	2	133.5925	0.773	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[5]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	132.0530	0.000	1	132.0530	0.000	1	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	131.8750	0.000	1	131.4245	0.406	2	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|H<1>,1|N<3>,7|C<3>}	130.9740	0.000	1	131.4245	0.406	2	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(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|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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	129.7780	0.000	1	129.7780	0.000	1	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(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|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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N){1|Pt<4>,1|O<1>,2|H<1>,4|C<3>}	132.9320	0.201	2	132.9320	0.040	2	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,5|C<3>}	131.4630	0.000	1	131.4630	0.000	1	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	130.3720	0.000	1	130.3720	0.000	1	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[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>,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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C){1|O<2>,2|H<1>,4|C<3>}	134.4100	0.000	1	134.4100	0.000	1	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	134.8690	0.000	1	134.8690	0.000	1	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[5]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,5|C<3>}	127.1075	0.317	2	127.2107	0.082	3	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[5]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|S<1>,1|S<2>,5|C<3>}	127.4170	0.000	1	127.2107	0.082	3	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[5]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|O<1>,4|C<3>}	128.0840	0.000	1	128.0840	0.000	1	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[5]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|S<2>,2|O<1>,5|C<3>}	128.2420	0.000	1	128.2420	0.000	1	130.6411	6.821	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6,6]-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](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(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](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H){2|C<3>,4|C<4>,4|H<1>}	134.2690	0.000	1	134.2690	0.000	1	134.2690	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5])	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	133.9300	0.000	1	133.9300	0.000	1	133.9132	2.514	11	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C){1|Ru<6>,4|C<3>,4|H<1>}	132.0450	0.000	1	132.0450	0.000	1	133.9132	2.514	11	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt){1|C<4>,3|H<1>,5|C<3>}	130.8540	0.000	1	130.8540	0.000	1	133.9132	2.514	11	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru)	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru){4|C<3>,4|H<1>}	134.1500	0.000	1	133.8668	0.140	5	133.9132	2.514	11	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru)	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru){4|C<3>,4|H<1>}	133.7960	0.392	4	133.8668	0.140	5	133.9132	2.514	11	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-3:C[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](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	134.7300	0.000	1	134.7300	0.000	1	133.9132	2.514	11	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-3:C[5]-3:	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	136.9970	0.000	1	136.9970	0.000	1	133.9132	2.514	11	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[6]-3:C[5]-3:	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	135.1550	0.000	1	135.1550	0.000	1	133.9132	2.514	11	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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[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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	130.8300	0.000	1	130.8300	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	132.1975	0.291	2	132.1975	0.084	2	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	130.4520	0.000	1	130.7560	0.214	3	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	131.2890	0.000	1	130.7560	0.214	3	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	130.5270	0.000	1	130.7560	0.214	3	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	131.3510	0.000	1	131.3510	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){1|S<3>,3|H<1>,5|C<3>}	130.8730	0.000	1	130.8730	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	130.5230	0.000	1	130.5230	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|O<1>,3|H<1>,6|C<3>}	131.5270	0.212	2	131.3732	0.080	5	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	131.3080	0.434	2	131.3732	0.080	5	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|C<4>,4|H<1>,6|C<3>}	131.1960	0.000	1	131.3732	0.080	5	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,4|C<3>,4|H<1>}	130.3820	0.000	1	130.3820	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	131.5770	0.255	3	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	130.6680	0.808	2	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	129.7980	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	129.9420	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	131.6730	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	131.7640	0.027	2	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	130.6070	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,4|H<1>}	130.4580	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	130.9905	0.142	2	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,5|C<3>}	131.1510	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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>,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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	131.5780	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,3|H<1>,4|C<3>}	131.0560	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	130.7060	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	130.3730	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	131.0525	0.057	2	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	130.6080	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	131.0120	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,3|H<1>,5|C<3>}	130.5430	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	131.0700	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	131.2000	0.000	1	130.9791	0.316	26	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,3|H<1>,4|C<3>}	132.0506	0.533	7	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,4|C<3>}	132.0820	0.013	2	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	130.4830	0.000	1	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,3|H<1>,4|C<3>}	131.6119	0.844	24	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	130.9280	0.000	1	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	131.9130	0.000	1	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,4|C<3>,4|H<1>}	131.1690	0.000	1	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	131.2840	0.000	1	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	132.6030	0.000	1	131.6816	0.601	39	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I){1|N<3>,3|H<1>,5|C<3>}	130.6800	0.000	1	130.8543	0.050	3	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I){1|N<3>,3|H<1>,5|C<3>}	130.9415	0.233	2	130.8543	0.050	3	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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<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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|C<3>,5|H<1>}	129.7480	0.000	1	130.8160	2.281	2	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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<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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|H<1>,5|C<3>}	131.8840	0.000	1	130.8160	2.281	2	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P){1|O<1>,3|H<1>,4|C<3>}	131.3620	0.000	1	131.3620	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	131.0120	0.000	1	131.0130	0.000	2	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	131.0140	0.000	1	131.0130	0.000	2	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(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|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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H){2|H<1>,5|C<3>}	131.6170	0.000	1	131.6170	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	128.9053	0.755	3	129.7286	1.631	5	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,5|C<3>}	131.3530	0.000	1	129.7286	1.631	5	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|C<3>,5|H<1>}	130.5740	0.000	1	129.7286	1.631	5	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	135.2800	0.000	1	135.2800	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<2>,1|H<1>,4|C<3>}	135.6930	0.000	2	135.6930	0.000	2	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	127.4290	0.000	1	127.4290	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P){1|O<1>,3|H<1>,5|C<3>}	127.1750	0.000	1	127.1750	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	125.5920	0.000	1	125.5920	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C){2|O<1>,3|H<1>,4|C<3>}	127.9840	0.000	1	127.9840	0.000	1	131.2002	1.959	101	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N){2|O<2>,3|H<1>,4|C<3>}	126.5900	0.000	1	126.5900	0.000	1	126.5900	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	133.7700	0.000	1	133.7700	0.000	1	136.3433	5.065	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(C[5]N[5]2)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(C[5]N[5]2){1|N<2>,3|C<3>,3|H<1>}	137.9430	0.000	1	137.9430	0.000	1	136.3433	5.065	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	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]-3:C[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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(C[5]N[5]2)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(C[5]N[5]2){1|N<2>,3|C<3>,3|H<1>}	137.3170	0.000	1	137.3170	0.000	1	136.3433	5.065	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	130.5160	0.000	2	130.5160	0.000	2	130.4636	0.092	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,6|C<3>}	130.9180	0.000	1	130.9180	0.000	1	130.4636	0.092	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|C<4>,6|C<3>}	130.1840	0.000	2	130.1840	0.000	2	130.4636	0.092	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-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])(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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,5|C<3>}	130.0030	0.000	2	129.7713	0.161	3	129.7713	0.161	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-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])(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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	129.3080	0.000	1	129.7713	0.161	3	129.7713	0.161	3	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	132.0840	0.000	1	132.0840	0.000	1	132.0840	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5]-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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	129.8860	0.000	1	129.8860	0.000	1	129.8860	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	130.7070	0.719	4	130.7070	0.517	4	130.7070	0.517	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	131.6765	0.398	4	131.6765	0.158	4	131.6765	0.158	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	132.1895	0.101	2	132.1895	0.010	2	133.5992	3.052	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H){1|H<1>,2|C<3>}	135.0090	1.093	2	135.0090	1.195	2	133.5992	3.052	4	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5]-3: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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	127.4140	0.000	1	127.4140	0.000	1	127.4140	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|Br<1>,1|C<4>,2|C<3>}	132.1490	0.000	1	132.1490	0.000	1	132.1490	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	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[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|Cl<1>,1|H<1>,2|C<3>}	135.1670	0.000	1	135.1670	0.000	1	135.1670	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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: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](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(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<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](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C){2|C<3>,2|H<1>}	132.6450	0.105	2	132.6450	0.011	2	134.5894	1.074	12	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:C[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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2)	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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,3|C<3>}	135.6760	0.000	1	135.6760	0.000	1	134.5894	1.074	12	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:C[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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[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|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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	134.8446	0.486	5	134.8446	0.236	5	134.5894	1.074	12	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:C[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](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[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](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O){1|H<1>,1|O<2>,2|C<3>}	134.7610	0.745	2	134.7610	0.555	2	134.5894	1.074	12	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:C[5]-3:	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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O)	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](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O){1|H<1>,2|C<3>}	135.1810	0.694	2	135.1810	0.482	2	134.5894	1.074	12	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:B-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	132.7620	0.000	1	132.7620	0.000	1	132.7620	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	129.0120	0.143	2	129.0120	0.020	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO){2|H<1>,3|C<3>}	132.5480	0.000	1	132.5480	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	135.0030	0.000	1	135.0030	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC){1|H<1>,5|C<3>}	133.4750	0.000	1	133.4750	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	132.0325	0.152	2	131.6954	0.656	22	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	131.8141	0.877	16	131.6954	0.656	22	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	131.0523	0.176	4	131.6954	0.656	22	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO){2|C<3>,2|H<1>}	130.4210	0.000	1	130.4210	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]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>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){1|H<1>,3|C<3>}	133.5130	0.000	1	133.4280	0.014	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	133.3430	0.000	1	133.4280	0.014	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H){1|H<1>,3|C<3>}	133.8900	0.000	1	133.8900	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN){1|H<1>,3|C<3>}	132.2365	0.231	2	132.2365	0.053	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO){2|C<3>,3|H<1>}	132.1620	0.000	1	132.1620	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H){1|H<1>,3|C<3>}	131.6350	0.498	2	131.6350	0.248	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	131.2287	0.657	4	131.2287	0.431	4	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C){1|H<1>,3|C<3>}	134.3990	0.000	1	134.3990	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	131.8020	0.000	1	131.8020	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	131.8720	0.000	1	131.8720	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO){1|H<1>,3|C<3>}	132.2385	0.021	2	132.2385	0.000	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO){1|H<1>,1|S<4>,2|C<3>}	134.3250	0.000	1	134.3250	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	130.6890	0.000	1	130.6890	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H){1|H<1>,3|C<3>}	131.7760	0.864	2	131.7760	0.747	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C){1|C<4>,3|C<3>,3|H<1>}	130.4030	0.000	1	130.4030	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H){1|H<1>,1|O<1>,2|C<3>}	128.3220	0.000	1	128.3220	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N){2|C<3>,3|H<1>}	132.0270	0.490	3	132.0270	0.240	3	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5]H){1|H<1>,3|C<3>}	131.6560	0.000	1	131.6560	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H){1|H<1>,3|C<3>}	131.7810	0.000	1	131.7810	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CHN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CHN){1|H<1>,3|C<3>}	132.5190	1.092	2	132.5190	1.192	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H){1|H<1>,3|C<3>}	131.9990	0.481	2	131.9990	0.231	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH){2|C<3>,2|H<1>}	132.6060	0.229	2	132.6060	0.052	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){2|H<1>,4|C<3>}	131.9080	1.454	3	132.4602	1.668	5	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	133.2885	0.401	2	132.4602	1.668	5	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|I<1>,4|C<3>}	132.7900	0.000	1	132.9985	0.087	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){2|H<1>,4|C<3>}	133.2070	0.000	1	132.9985	0.087	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C){3|H<1>,4|C<3>}	132.5830	0.000	1	132.5830	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl){1|B<3>,1|H<1>,4|C<3>}	133.6670	0.000	1	133.6670	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,5|C<3>}	133.1910	0.000	1	133.1910	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	133.3465	0.582	4	133.3465	0.338	4	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S){1|H<1>,5|C<3>}	134.2010	0.000	1	134.2010	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	131.7310	0.212	2	131.7310	0.045	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC){1|Si<4>,2|H<1>,4|C<3>}	130.8070	0.000	1	130.8070	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	131.6820	0.257	2	131.6820	0.066	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCC){1|H<1>,2|C<3>}	134.5740	0.000	1	134.5740	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	134.2670	0.000	1	134.2670	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	134.0190	0.000	1	134.0190	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	132.7950	0.033	2	132.7950	0.001	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	134.7090	0.000	1	134.7090	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	134.4445	0.373	2	134.4445	0.139	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	133.8400	0.074	2	133.8400	0.005	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	132.9885	0.053	2	132.9885	0.003	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	134.4870	0.000	1	134.4870	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	134.1040	0.000	1	134.1040	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	132.6610	0.000	1	132.6610	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	134.0790	0.000	1	134.0790	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl){1|C<4>,1|H<1>,2|C<3>}	134.1860	0.000	1	134.1860	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C){1|H<1>,2|C<3>}	135.0220	0.000	1	135.0220	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH){1|H<1>,2|C<3>}	135.8640	0.000	1	135.8640	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[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>,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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]O){1|H<1>,2|C<3>}	134.8130	0.339	2	134.8130	0.115	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	133.5605	0.466	2	134.0310	0.739	26	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	133.7542	0.495	9	134.0310	0.739	26	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	134.7982	0.209	11	134.0310	0.739	26	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|H<1>,3|C<3>}	132.7792	0.816	4	134.0310	0.739	26	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	134.3510	0.000	1	134.2438	0.667	19	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	134.1286	0.836	8	134.2438	0.667	19	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	134.9873	0.243	4	134.2438	0.667	19	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	133.9970	0.929	5	134.2438	0.667	19	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|H<1>,3|C<3>}	133.3190	0.000	1	134.2438	0.667	19	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	134.8695	0.053	2	135.7256	0.228	12	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){2|C<3>,2|H<1>}	135.8968	0.289	10	135.7256	0.228	12	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	134.8115	1.145	2	134.8115	1.311	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F){1|C<4>,1|H<1>,2|C<3>}	133.8895	0.370	2	133.8895	0.137	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[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]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	134.4040	0.000	2	134.2938	0.722	14	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	134.2754	0.922	12	134.2938	0.722	14	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]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|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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C){2|C<3>,2|H<1>}	135.2370	0.000	1	135.2370	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	133.6537	1.375	3	133.7113	1.273	4	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	133.8840	0.000	1	133.7113	1.273	4	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]C){1|C<4>,1|H<1>,2|C<3>}	134.6430	0.000	1	134.6430	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2){2|C<3>,2|H<1>}	134.3300	0.000	1	134.3300	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	133.9679	0.423	7	133.2438	0.624	20	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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|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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	132.5450	0.000	1	133.2438	0.624	20	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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|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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){2|C<3>,2|H<1>}	134.0820	0.216	2	133.2438	0.624	20	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	132.6392	0.411	10	133.2438	0.624	20	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	133.8187	0.716	3	134.6987	0.542	14	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[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|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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	134.9554	0.581	10	134.6987	0.542	14	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|H<1>,3|C<3>}	134.7720	0.000	1	134.6987	0.542	14	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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|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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	134.7420	0.000	1	134.7420	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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|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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S){1|C<4>,1|H<1>,2|C<3>}	134.2720	0.000	1	134.2720	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	133.3690	0.000	1	133.3690	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH){1|H<1>,3|C<3>}	134.0290	0.000	1	134.0290	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	131.5640	0.000	1	131.5640	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	135.2750	0.000	1	135.2750	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	133.5610	0.334	2	133.5610	0.111	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	135.6050	0.000	1	135.6050	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	134.6370	0.100	2	134.6370	0.010	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	136.4260	0.000	1	136.4260	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	135.9457	0.599	3	135.9457	0.358	3	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N){1|H<1>,2|C<3>}	136.4630	0.311	2	136.4630	0.097	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	136.4190	0.000	1	135.8695	0.604	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	135.3200	0.000	1	135.8695	0.604	2	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H){1|H<1>,2|C<3>}	135.7910	0.000	1	135.7910	0.000	1	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC){1|H<1>,2|C<3>,2|O<1>}	128.6550	0.068	2	129.2900	0.681	4	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC){1|H<1>,2|C<3>,2|O<1>}	129.9250	0.652	2	129.2900	0.681	4	133.4697	2.677	243	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){3|H<1>,5|C<3>}	133.5630	0.000	1	133.3890	0.061	2	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){2|H<1>,6|C<3>}	133.2150	0.000	1	133.3890	0.061	2	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	130.4650	0.366	2	130.4650	0.134	2	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	134.5990	0.006	2	134.5990	0.000	2	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	134.3840	0.000	1	134.3840	0.000	1	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	136.8120	0.000	1	136.8120	0.000	1	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	135.9917	0.095	3	135.2996	1.173	5	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	133.5260	0.000	1	135.2996	1.173	5	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	134.9970	0.000	1	135.2996	1.173	5	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	135.6680	0.000	1	135.6680	0.000	1	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2){1|C<4>,1|H<1>,4|C<3>}	134.7600	0.000	1	134.7600	0.000	1	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[5]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5]){1|C<4>,1|H<1>,1|S<2>,4|O<1>,5|C<3>}	127.5530	0.000	1	127.5530	0.000	1	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	137.7705	0.414	2	137.7705	0.171	2	134.3401	7.017	18	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS){2|C<3>,3|H<1>}	130.9920	0.000	1	130.9920	0.000	1	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	131.2430	0.075	2	131.2690	0.005	3	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|H<1>,1|N<3>,4|C<3>}	131.3210	0.000	1	131.2690	0.005	3	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	131.3480	0.000	1	131.3480	0.000	1	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C){1|H<1>,1|O<1>,2|C<3>}	133.9950	0.000	1	133.9950	0.000	1	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	133.4130	0.605	2	133.4130	0.366	2	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){1|H<1>,1|O<1>,2|C<3>}	131.2420	0.000	1	130.8810	0.331	3	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|C<3>,3|H<1>}	130.2180	0.000	1	130.8810	0.331	3	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|H<1>,3|C<3>}	131.1830	0.000	1	130.8810	0.331	3	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN){1|H<1>,1|O<1>,2|C<3>}	131.8400	0.000	1	131.8400	0.000	1	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS){2|C<3>,3|H<1>}	132.0960	0.000	1	132.0960	0.000	1	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NMnO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NMnO){1|H<1>,1|O<1>,2|C<3>}	130.9153	0.723	6	130.9153	0.523	6	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NNiO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NNiO){1|H<1>,1|O<1>,2|C<3>}	131.8460	0.430	2	131.8460	0.185	2	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O){1|H<1>,2|C<3>}	135.5390	0.000	1	135.5390	0.000	1	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO){2|C<3>,2|H<1>}	133.9100	0.000	1	133.9100	0.000	1	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O){1|C<4>,1|H<1>,2|C<3>}	133.7460	0.000	1	133.7460	0.000	1	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPdN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPdN){2|C<3>,2|H<1>}	134.5205	0.107	2	134.5205	0.011	2	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPtN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPtN){2|C<3>,2|H<1>}	134.4985	0.385	2	134.4985	0.149	2	132.2844	2.521	28	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN){2|C<3>,3|H<1>}	131.7830	0.000	1	131.7830	0.000	1	132.0470	0.139	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2){3|H<1>,4|C<3>}	132.3110	0.000	1	132.3110	0.000	1	132.0470	0.139	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]Pt)(CC[5a]C[6a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]Pt)(CC[5a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	132.0110	0.000	1	132.0110	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|O<1>,4|C<3>}	131.3837	0.343	3	131.3837	0.118	3	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO)	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO){1|H<1>,4|C<3>}	127.1980	0.000	1	127.1980	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O)	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O){1|H<1>,4|C<3>}	127.2670	0.000	1	127.2670	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H){1|H<1>,1|O<1>,2|C<3>}	132.1550	0.000	1	132.1550	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|H<1>,1|O<1>,2|C<3>}	132.9595	0.368	2	132.9595	0.136	2	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN){1|H<1>,1|O<1>,2|C<3>}	133.5305	0.012	2	133.5305	0.000	2	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H){1|H<1>,1|O<1>,2|C<3>}	131.4460	0.489	2	131.4460	0.239	2	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	130.9300	0.000	1	131.5891	0.889	8	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	131.6833	0.977	7	131.5891	0.889	8	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	131.0030	0.000	1	131.0030	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC){1|H<1>,1|O<1>,2|C<3>}	133.4040	0.000	1	133.4040	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	131.6574	0.614	9	131.6574	0.377	9	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5]Cl)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5]Cl){1|H<1>,1|O<1>,2|C<3>}	133.3370	0.102	2	133.3370	0.010	2	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	131.2850	0.000	1	131.2850	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Br)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Br){1|H<1>,1|O<1>,2|C<3>}	132.7015	0.588	4	132.7015	0.345	4	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	133.4400	0.000	1	133.4400	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Cl)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Cl){1|H<1>,1|O<1>,2|C<3>}	132.8345	0.086	2	132.8345	0.007	2	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	131.6470	0.349	5	131.6470	0.122	5	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I){1|H<1>,1|O<1>,2|C<3>}	132.6820	0.000	1	132.6820	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	131.7210	0.000	1	131.7210	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH){1|H<1>,1|O<1>,2|C<3>}	132.5820	0.000	1	132.5820	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[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|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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	132.2940	0.000	1	132.2940	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCN)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCN){1|H<1>,1|O<1>,4|C<3>}	134.4900	0.000	1	134.4900	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	130.6236	0.312	5	130.6236	0.097	5	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CC[6a]Si)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CC[6a]Si){1|H<1>,1|O<1>,4|C<3>}	132.2676	0.671	5	132.2676	0.450	5	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC){1|H<1>,1|O<1>,4|C<3>}	131.6450	0.256	2	131.6450	0.066	2	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	129.9235	0.305	2	129.9235	0.093	2	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	130.6770	0.000	1	130.6770	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	130.0910	0.000	1	130.0910	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	134.0640	0.000	1	134.0640	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(CNO)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(CNO){1|C<4>,1|H<1>,2|C<3>}	136.7850	0.000	1	136.7850	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(COO)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(COO){2|C<3>,2|H<1>}	136.1972	0.954	6	136.1972	0.910	6	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(COO)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(COO){2|C<3>,2|H<1>}	136.5410	0.000	1	136.5410	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH){1|H<1>,1|O<1>,3|C<3>}	126.3140	0.000	1	126.3140	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS){1|H<1>,2|C<3>,2|O<1>}	129.0690	1.590	2	129.0690	2.527	2	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Zn)(COO)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Zn)(COO){1|H<1>,2|C<3>}	130.9550	0.000	1	130.9550	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-3:	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH){1|H<1>,2|C<3>,2|O<1>}	127.4430	0.000	1	127.4430	0.000	1	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	135.0633	0.319	3	135.0633	0.102	3	132.1358	4.440	85	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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]Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NHH){1|H<1>,2|C<3>,2|O<2>}	131.6710	0.000	1	131.6710	0.000	1	132.1315	0.748	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCoC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCoC){2|C<3>,3|H<1>}	132.8530	0.000	1	132.8530	0.000	1	132.1315	0.748	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC){1|H<1>,1|O<1>,2|C<3>}	132.8230	0.000	1	132.2515	0.653	2	132.1315	0.748	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC){2|C<3>,3|H<1>}	131.6800	0.000	1	132.2515	0.653	2	132.1315	0.748	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NCH)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NCH){2|C<3>,3|H<1>}	130.6640	0.000	1	130.6640	0.000	1	132.1315	0.748	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[6]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[6]H){1|N<3>,2|C<3>,2|H<1>}	132.2230	0.000	1	132.2230	0.000	1	132.1315	0.748	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H){3|H<1>,4|C<3>}	130.0250	0.000	1	130.0250	0.000	1	132.1315	0.748	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	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:N-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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]Pd)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]Pd){3|H<1>,4|C<3>}	132.5041	0.439	8	132.5041	0.192	8	132.1315	0.748	15	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P-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](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(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](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,2|H<1>}	133.3810	0.000	1	132.1320	3.120	2	132.1320	3.120	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P-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](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(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>,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](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,3|H<1>}	130.8830	0.000	1	132.1320	3.120	2	132.1320	3.120	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCC){1|O<1>,2|N<3>}	135.2430	0.000	1	135.2430	0.000	1	135.2430	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	132.0190	0.000	1	132.0190	0.000	1	132.0190	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	133.8200	0.000	1	133.8200	0.000	1	133.8200	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){3|H<1>,4|C<3>}	134.7510	0.000	1	134.7510	0.000	1	134.7510	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|H<1>,1|N<2>,2|C<3>}	131.1850	0.000	1	131.1850	0.000	1	131.1850	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	133.1080	0.000	1	133.1080	0.000	1	133.1080	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	131.4940	0.000	1	131.4940	0.000	1	131.4940	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[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](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	130.4840	0.000	1	130.4840	0.000	1	130.7080	0.100	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[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](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](N[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>,4|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	130.9320	0.000	1	130.9320	0.000	1	130.7080	0.100	2	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[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](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,1|H<1>,2|F<1>,4|C<3>}	135.9680	0.198	2	135.6308	0.109	5	135.6308	0.109	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[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](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,3|H<1>,4|C<3>}	135.3800	0.124	2	135.6308	0.109	5	135.6308	0.109	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[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](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Se<1>,3|H<1>,4|C<3>}	135.4580	0.000	1	135.6308	0.109	5	135.6308	0.109	5	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[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]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	130.8230	0.000	1	130.8230	0.000	1	130.8230	0.000	1	132.8457	5.499	1373	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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]-3:C[6]-4:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H){1|H<1>,9|C<3>}	135.6960	0.000	1	135.6960	0.000	1	135.6960	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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]-3:C-4:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH){1|H<1>,3|C<3>}	140.9118	0.322	4	140.9118	0.104	4	140.1375	0.949	8	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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]-3:C-4:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH){1|H<1>,3|C<3>}	139.3632	0.715	4	139.3632	0.511	4	140.1375	0.949	8	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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]-3:N-4:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]AlH)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]AlH){1|H<1>,3|C<3>}	137.7400	0.349	2	137.7400	0.122	2	137.7400	0.122	2	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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]-3:S-4:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	137.5490	0.000	1	137.5490	0.000	1	137.5490	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5]-3:C[5,6a]-3:Si-4:	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](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3)	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](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	129.7205	0.161	2	129.7205	0.026	2	129.7205	0.026	2	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:C-4:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	129.0140	0.000	1	129.0140	0.000	1	129.0855	0.010	2	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:C-4:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,5|C<3>}	129.1570	0.000	1	129.1570	0.000	1	129.0855	0.010	2	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:Si-4:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	130.1790	0.000	1	130.1790	0.000	1	130.1790	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6]-3:C[5,6a]-3:C-4:	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,5|C<3>}	130.2070	0.000	1	130.2070	0.000	1	130.2070	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[4,5]-3:P-4:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3){1|C<4>,2|C<3>,4|H<1>}	131.6590	0.000	1	131.6590	0.000	1	131.6590	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5]-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)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH){1|B<4>,1|O<3>,2|H<1>,3|C<3>}	131.2580	0.000	1	131.2580	0.000	1	130.7950	0.984	7	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5]-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)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3){1|H<1>,2|C<4>,4|C<3>}	132.8440	0.000	1	132.8440	0.000	1	130.7950	0.984	7	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5]-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)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	130.2926	0.241	5	130.2926	0.058	5	130.7950	0.984	7	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5]-3:Si-4:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(SiC3)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(SiC3){1|H<1>,1|O<1>,5|C<3>}	130.2815	0.262	2	130.2815	0.069	2	130.1683	0.045	4	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5]-3:Si-4:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(SiC3)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(SiC3){1|H<1>,2|O<1>,4|C<3>}	130.0550	0.120	2	130.0550	0.014	2	130.1683	0.045	4	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	131.2160	0.000	1	131.2160	0.000	1	131.2160	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6]-3:Si-4:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3){2|C<3>,2|C<4>,4|H<1>}	130.2110	0.074	2	130.2110	0.005	2	130.2110	0.005	2	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])2(CC[5]2Zr)	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](C[5,6a]C[5,6a]C[6a])2(CC[5]2Zr){2|H<1>,4|C<3>}	130.9055	0.580	4	130.9055	0.337	4	131.7981	1.532	7	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])2(CC[6a]DyO)	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](C[5,6a]C[5,6a]C[6a])2(CC[6a]DyO){2|H<1>,4|C<3>}	132.9883	0.611	3	132.9883	0.374	3	131.7981	1.532	7	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:P-4:	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](C[5,6a]C[5,6a]C[6a])2(PC3)	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](C[5,6a]C[5,6a]C[6a])2(PC3){2|H<1>,4|C<3>}	133.3780	0.580	4	133.3780	0.336	4	133.2675	0.492	10	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:P-4:	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](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)	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](C[5,6a]C[5,6a]C[6a])2(PC[5]CC){2|H<1>,4|C<3>}	133.4690	0.177	2	133.4690	0.031	2	133.2675	0.492	10	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:P-4:	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](C[5,6a]C[5,6a]C[6a])2(PC[6a]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>}	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](C[5,6a]C[5,6a]C[6a])2(PC[6a]3){2|H<1>,4|C<3>}	133.0563	1.014	4	133.0563	1.028	4	133.2675	0.492	10	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:Si-4:	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](C[5,6a]C[5,6a]C[6a])2(SiC[6a]CC)	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](C[5,6a]C[5,6a]C[6a])2(SiC[6a]CC){2|H<1>,4|C<3>}	132.4010	0.489	2	132.4010	0.239	2	132.4010	0.239	2	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:	N[5,6,6]-3:C[5,6a]-3:C-4:	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](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	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](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3){2|Cl<1>,1|B<4>,1|H<1>,2|N<3>,4|C<3>}	134.2500	0.642	3	134.2500	0.412	3	134.2500	0.412	3	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:B-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F)	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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F){1|F<1>,4|C<3>}	128.5610	0.000	1	128.5610	0.000	1	128.5610	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CF3)	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CF3){1|B<4>,1|F<1>,2|C<3>}	135.6867	0.522	3	135.6867	0.273	3	135.6867	0.273	3	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:B-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N){1|C<4>,2|C<3>,2|H<1>}	130.8710	0.031	2	130.8710	0.001	2	129.9710	2.430	3	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:B-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]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>}	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](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3){2|C<3>,2|H<1>,3|C<4>}	128.1710	0.000	1	128.1710	0.000	1	129.9710	2.430	3	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	130.3720	0.000	1	130.3720	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	130.7680	0.000	1	130.4555	0.195	2	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|H<1>,1|N<3>,5|C<3>}	130.1430	0.000	1	130.4555	0.195	2	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	132.4585	0.805	2	132.4585	0.649	2	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3){1|H<1>,6|C<3>}	132.7440	0.000	1	132.7440	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH){1|H<1>,6|C<3>}	131.7830	0.000	1	131.7830	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	130.7297	1.922	3	130.7297	3.693	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	130.8495	0.084	2	130.8495	0.007	2	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	128.9120	0.000	1	128.9120	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH){1|H<1>,1|O<1>,3|C<3>}	123.6620	0.000	1	123.6620	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	131.7350	0.165	2	131.7350	0.027	2	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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]F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	130.5280	0.000	1	130.5280	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH){1|P<4>,2|C<3>,2|H<1>}	131.7180	0.000	1	131.7180	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	130.2210	0.000	1	130.2210	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|P<4>,2|C<3>,2|H<1>}	131.1420	0.000	1	131.1420	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	131.1590	0.000	1	130.7733	0.115	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,3|H<1>}	130.5260	0.000	1	130.7733	0.115	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	130.6350	0.000	1	130.7733	0.115	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<3>,1|H<1>,2|C<3>}	130.9720	0.000	1	130.9250	0.018	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<4>,2|C<3>,2|H<1>}	131.0290	0.000	1	130.9250	0.018	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|Ru<6>,1|C<5>,1|H<1>,2|C<3>}	130.7740	0.000	1	130.9250	0.018	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	130.9682	0.386	5	130.9682	0.149	5	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH){2|C<3>,3|H<1>}	131.3380	0.000	1	131.3380	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){2|C<3>,3|H<1>}	131.1490	0.000	1	131.1490	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3){1|H<1>,3|C<3>}	132.6276	0.170	5	132.6276	0.029	5	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	131.2700	0.000	1	131.2700	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	130.3120	0.000	1	130.3120	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN){2|C<3>,2|H<1>}	130.6210	0.000	1	130.6210	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	129.4090	0.000	1	129.4090	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH){1|C<2>,1|H<1>,2|C<3>}	133.0830	0.342	2	133.0830	0.117	2	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|O<2>,2|H<1>,4|C<3>}	130.5075	0.173	2	130.5075	0.030	2	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	131.1690	0.000	1	131.1690	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	134.1630	0.000	1	134.1630	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	135.6250	0.000	1	135.6250	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|H<1>,2|C<3>}	134.9290	0.000	1	134.9290	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO){1|H<1>,2|C<3>}	135.4870	0.000	1	135.4870	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	134.6665	0.940	2	134.5400	0.490	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	134.2870	0.000	1	134.5400	0.490	3	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO){1|H<1>,2|C<3>}	134.3400	0.000	1	134.3400	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH){1|H<1>,2|C<3>}	127.6850	0.000	1	127.6850	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	124.4640	0.000	1	124.4640	0.000	1	131.4053	4.754	57	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	130.1553	0.196	6	130.4429	0.238	16	130.8372	0.896	22	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	130.2843	0.399	6	130.4429	0.238	16	130.8372	0.896	22	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	131.1120	0.218	4	130.4429	0.238	16	130.8372	0.896	22	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	131.3568	0.332	4	131.3568	0.110	4	130.8372	0.896	22	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H){1|O<1>,5|H<1>,6|C<3>}	131.8550	0.000	1	131.8550	0.000	1	130.8372	0.896	22	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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[5]-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5]){1|C<4>,1|H<1>,2|F<1>,8|C<3>}	134.0500	0.000	1	134.0500	0.000	1	130.8372	0.896	22	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru){2|C<3>,2|C<4>,3|H<1>}	133.0740	0.629	3	133.0740	0.395	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PAuCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PAuCC){2|C<3>,3|H<1>}	131.5390	0.206	3	131.5390	0.042	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C){2|C<3>,2|H<1>}	132.9190	0.000	1	132.9190	0.000	1	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	131.0890	0.000	1	131.0890	0.000	1	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]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>}	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3){2|C<3>,2|H<1>}	133.3230	0.000	1	133.0770	0.074	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]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>}	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3){1|H<1>,3|C<3>}	132.9540	0.239	2	133.0770	0.074	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC){2|C<3>,2|H<1>}	134.3310	0.000	1	134.3310	0.000	1	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PAuCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PAuCC){2|C<3>,2|H<1>}	133.5480	0.000	1	133.5480	0.000	1	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS){2|C<3>,3|H<1>}	132.5560	0.000	1	132.5560	0.000	1	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,3|H<1>}	131.9380	0.000	1	132.7613	0.684	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,2|H<1>}	133.5920	0.000	1	132.7613	0.684	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,3|H<1>}	132.7540	0.000	1	132.7613	0.684	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PPtCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PPtCC){2|C<3>,3|H<1>}	132.3915	0.045	2	132.3915	0.002	2	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC){2|C<3>,2|H<1>}	133.3753	0.043	3	132.8297	0.178	11	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC){2|C<3>,3|H<1>}	132.6251	0.280	8	132.8297	0.178	11	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,2|H<1>}	134.3587	0.334	3	133.6489	0.389	9	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,3|H<1>}	133.4208	0.188	5	133.6489	0.389	9	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,3|H<1>}	132.6600	0.000	1	133.6489	0.389	9	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS){2|C<3>,3|H<1>}	132.6405	0.235	2	132.6405	0.055	2	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PIrCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PIrCC){2|C<3>,3|H<1>}	132.4500	0.314	2	132.4500	0.099	2	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC){2|C<3>,3|H<1>}	132.1180	0.000	2	132.1180	0.000	2	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC){2|C<3>,2|H<1>}	133.7655	0.121	2	133.7655	0.015	2	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	132.3855	0.057	2	132.2927	0.027	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S){1|P<4>,2|C<3>,2|H<1>}	132.1070	0.000	1	132.2927	0.027	3	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){2|C<3>,3|H<1>}	131.8155	0.692	2	132.1082	0.274	4	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){2|C<3>,3|H<1>}	132.4190	0.000	1	132.1082	0.274	4	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){1|Si<3>,2|C<3>,2|H<1>}	132.3830	0.000	1	132.1082	0.274	4	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){1|B<4>,2|C<3>,2|H<1>}	131.0740	0.000	1	132.1893	1.839	4	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){2|C<3>,2|H<1>}	134.1250	0.000	1	132.1893	1.839	4	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){2|C<3>,3|H<1>}	131.7790	0.434	2	132.1893	1.839	4	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru){3|H<1>,4|C<3>}	132.1300	0.000	1	132.1300	0.000	1	132.7575	0.680	59	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:S-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO){1|H<1>,3|C<3>}	130.6120	0.000	1	130.6120	0.000	1	132.0764	1.236	5	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:S-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	132.8110	1.310	2	132.4425	0.755	4	132.0764	1.236	5	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:S-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	132.0740	0.085	2	132.4425	0.755	4	132.0764	1.236	5	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:Si-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	132.2953	0.394	4	132.2953	0.155	4	131.9725	0.352	6	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:Si-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]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>}	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3){1|H<1>,1|O<1>,4|C<3>}	131.1750	0.000	1	131.1750	0.000	1	131.9725	0.352	6	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:Si-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC){1|C<4>,1|H<1>,5|C<3>}	131.4790	0.000	1	131.4790	0.000	1	131.9725	0.352	6	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	123.1160	0.071	2	123.5757	0.286	4	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3){1|Ge<3>,1|H<1>,4|C<3>}	124.0355	0.081	2	123.5757	0.286	4	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3)	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](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	120.0620	0.542	2	120.0620	0.293	2	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3)	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](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	120.4770	0.562	4	120.5502	1.466	6	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3)	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](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>,5|C<3>}	120.6965	2.514	2	120.5502	1.466	6	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN)	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](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN){1|H<1>,4|C<3>}	128.1780	0.000	1	128.1780	0.000	1	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH)	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](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	134.3220	0.000	1	134.3220	0.000	1	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH){1|H<1>,2|C<3>,2|O<1>}	129.6705	1.012	2	129.6705	1.024	2	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(N[5]Nb[3,5,5]C[6a])(CH3)	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](C[5,6a]C[5,6a]C[6a])(N[5]Nb[3,5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|H<2>,1|N<2>,1|N<3>,5|C<3>}	119.5415	1.587	2	119.5415	2.520	2	123.2584	19.608	18	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	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:P-4:	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](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(PC[6a]3)	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](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(PC[6a]3){2|C<3>,2|H<1>}	130.4970	0.000	1	130.4970	0.000	1	130.4970	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5a]-3:C[5,6a]-3:Si-4:	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	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](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	130.6180	0.000	1	130.6180	0.000	1	130.6180	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[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-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]H)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Fe<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Fe<5>,1|H<1>,2|C<3>}	134.5910	0.000	1	134.5910	0.000	1	134.5910	0.000	1	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[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]-3:C-4:	C[5,6a](N[5,6a]B[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]N[5,6a]C[5])(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|B<3>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,1|H<1>,1|O<1>}	130.8710	0.000	1	130.8710	0.000	1	130.8900	0.001	2	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[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]-3:C-4:	C[5,6a](N[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]N[5,6a]C[5])(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|C<4>,1|O<2>,5|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	130.9090	0.000	1	130.9090	0.000	1	130.8900	0.001	2	131.5610	12.560	234	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	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](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	131.0615	0.241	2	130.9268	0.079	6	130.9268	0.079	6	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	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](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	130.6195	0.168	2	130.9268	0.079	6	130.9268	0.079	6	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	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](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	131.0995	0.156	2	130.9268	0.079	6	130.9268	0.079	6	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O)	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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	130.1680	0.000	1	130.9773	0.497	3	130.9773	0.497	3	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O)	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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	131.3820	0.103	2	130.9773	0.497	3	130.9773	0.497	3	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[3,5]-4:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(O){2|Br<1>,2|H<1>,4|C<3>}	132.6310	0.632	2	132.6310	0.400	2	132.6310	0.400	2	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[5,5]-4:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){2|C<4>,4|C<3>,4|H<1>}	132.7000	0.000	1	132.7000	0.000	1	132.7440	0.267	8	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[5,5]-4:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){1|C<2>,1|H<1>,3|C<4>,4|C<3>}	131.8580	0.000	1	132.7503	0.311	7	132.7440	0.267	8	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[5,5]-4:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	132.8990	0.433	6	132.7503	0.311	7	132.7440	0.267	8	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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]-4:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	132.8230	0.000	1	132.8230	0.000	1	132.8760	0.006	2	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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]-4:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	132.9290	0.000	1	132.9290	0.000	1	132.8760	0.006	2	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(O){1|C<3>,1|F<1>,1|H<1>,1|N<2>,2|C<4>}	132.9905	0.633	2	132.9905	0.401	2	132.9905	0.401	2	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(O){1|Si<4>,2|C<3>,3|H<1>}	128.4500	0.000	1	128.4500	0.000	1	128.4862	0.389	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	128.7580	0.386	2	128.3942	0.440	11	128.4862	0.389	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|H<1>,1|O<1>,2|C<2>,4|C<3>}	128.1937	0.548	4	128.3942	0.440	11	128.4862	0.389	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	127.5855	0.682	2	128.3942	0.440	11	128.4862	0.389	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|O<1>,3|H<1>,4|C<3>}	129.0630	0.369	2	128.3942	0.440	11	128.4862	0.389	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(O){1|C<2>,3|C<3>,5|H<1>}	128.7480	0.000	1	128.3942	0.440	11	128.4862	0.389	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(O)	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(O){1|C<4>,3|C<3>,4|H<1>}	128.9250	0.000	1	128.9250	0.000	1	128.4862	0.389	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2N[5])(O){1|S<4>,3|H<1>,4|C<3>}	129.0960	0.000	1	129.0960	0.000	1	128.4862	0.389	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3x5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[3x5]C[3x5]C[5]2)(O){1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	127.5140	1.047	2	127.5140	1.095	2	127.9022	0.550	5	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3x5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2N[5])(O){1|H<1>,2|O<2>,3|C<3>,4|C<4>}	128.1610	0.549	3	128.1610	0.301	3	127.9022	0.550	5	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O){2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	127.3150	0.000	1	127.5695	0.130	2	127.6383	0.381	22	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O){2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	127.8240	0.000	1	127.5695	0.130	2	127.6383	0.381	22	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O){1|C<4>,1|H<1>,5|C<3>}	128.4398	0.248	4	127.6785	0.413	19	127.6383	0.381	22	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O){1|C<4>,2|H<1>,4|C<3>}	127.4755	0.555	15	127.6785	0.413	19	127.6383	0.381	22	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(O){2|H<1>,4|C<3>}	127.0110	0.000	1	127.0110	0.000	1	127.6383	0.381	22	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,3x6]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,3x6]C[5,6,6]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,3x6]C[5,6,6]3)(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	128.5500	0.000	1	128.5500	0.000	1	128.5500	0.000	1	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	127.6400	0.000	1	127.6400	0.000	1	128.0453	0.172	3	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	128.0280	0.000	1	128.0280	0.000	1	128.0453	0.172	3	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|O<1>,2|H<1>,5|C<3>}	128.4680	0.000	1	128.4680	0.000	1	128.0453	0.172	3	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	128.1515	0.415	2	128.1515	0.172	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(O){2|C<3>,2|C<4>,2|H<1>}	128.0930	0.707	3	128.0930	0.499	3	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	128.3370	0.453	4	128.1733	0.199	6	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	127.8460	0.239	2	128.1733	0.199	6	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	127.6120	0.000	1	128.1625	0.606	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(O){1|C<4>,2|H<1>,4|C<3>}	128.7130	0.000	1	128.1625	0.606	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]O)(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	128.6270	0.000	1	128.6270	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	127.2920	0.000	1	127.2920	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	128.7800	0.457	14	128.8328	0.184	35	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	129.4650	0.093	4	128.8328	0.184	35	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	128.8960	0.396	2	128.8328	0.184	35	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	128.7154	0.334	14	128.8328	0.184	35	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	128.5600	0.000	1	128.8328	0.184	35	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	129.0525	0.428	2	129.0289	0.290	8	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	129.0188	0.636	4	129.0289	0.290	8	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	129.0255	0.797	2	129.0289	0.290	8	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	129.3190	0.000	1	128.1676	0.552	5	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|C<4>,2|H<1>,6|C<3>}	127.7640	0.000	1	128.1676	0.552	5	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){2|C<4>,3|H<1>,5|C<3>}	128.5150	0.000	1	128.1676	0.552	5	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	127.6200	0.000	2	128.1676	0.552	5	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	128.9475	0.421	2	128.8856	0.219	21	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	128.5090	0.175	2	128.8856	0.219	21	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	128.7697	0.526	6	128.8856	0.219	21	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	129.1935	0.671	2	128.8856	0.219	21	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	129.3720	0.240	2	128.8856	0.219	21	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	129.0217	0.557	4	128.8856	0.219	21	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|N<2>,1|S<4>,3|C<3>,5|H<1>}	128.5020	0.000	1	128.8856	0.219	21	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){2|C<4>,3|C<3>,5|H<1>}	128.6735	0.016	2	128.8856	0.219	21	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){3|H<1>,5|C<3>}	128.9140	0.000	1	129.0783	0.038	3	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|C<3>,5|H<1>}	129.0270	0.000	1	129.0783	0.038	3	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<2>,3|H<1>,5|C<3>}	129.2940	0.000	1	129.0783	0.038	3	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O){1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	127.6840	0.000	1	127.9133	0.122	3	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(O){1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	128.0280	0.407	2	127.9133	0.122	3	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	129.0680	0.656	2	128.8665	0.296	22	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	129.1940	0.585	2	128.8665	0.296	22	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	129.0482	0.324	6	128.8665	0.296	22	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	128.9077	0.517	8	128.8665	0.296	22	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	129.0230	0.000	1	128.8665	0.296	22	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|N<3>,1|S<1>,3|C<3>,4|H<1>}	128.3530	0.000	1	128.8665	0.296	22	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	127.8810	0.000	1	128.8665	0.296	22	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(O){1|Se<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	127.7320	0.000	1	128.8665	0.296	22	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	128.6647	0.544	12	128.6639	0.286	14	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	128.6595	0.680	2	128.6639	0.286	14	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	128.3605	0.046	2	128.3605	0.002	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,3|C<3>,3|H<1>}	128.0680	0.000	1	128.0680	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	128.0535	0.550	6	128.0535	0.303	6	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	129.3365	0.684	2	128.7964	0.212	18	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	129.3120	0.605	2	128.7964	0.212	18	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]2)(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	128.6456	0.320	14	128.7964	0.212	18	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	128.2540	0.209	2	128.2540	0.044	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	128.0787	0.666	3	128.0787	0.444	3	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	131.6750	0.000	1	131.7105	0.003	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(O){2|C<3>,4|C<4>,4|H<1>}	131.7460	0.000	1	131.7105	0.003	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){1|N<2>,3|H<1>,4|C<3>}	132.1830	0.000	1	132.1830	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2O[5])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	130.2060	0.000	1	130.2060	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<2>,1|H<1>,5|C<3>}	131.4810	0.000	1	131.4810	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){1|C<4>,3|C<3>,4|H<1>}	131.4700	0.174	2	131.4700	0.030	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	132.0640	0.000	1	132.5519	0.447	9	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	133.8840	0.000	1	132.5519	0.447	9	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|H<1>,5|C<3>}	132.2915	0.315	2	132.5519	0.447	9	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,2|H<1>,5|C<3>}	132.1605	0.245	2	132.5519	0.447	9	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	132.7050	0.669	3	132.5519	0.447	9	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(O){2|C<4>,3|C<3>,3|H<1>}	132.3450	0.148	2	132.3450	0.022	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	131.6900	0.000	1	131.6900	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(O){1|N<2>,2|H<1>,4|C<3>}	125.6883	0.778	3	125.6883	0.605	3	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	130.9410	0.000	1	130.9410	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]O)(O){2|C<4>,2|H<1>,3|C<3>}	131.3110	0.000	1	131.3110	0.000	1	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O){1|Cl<1>,1|H<1>,4|C<3>}	129.2490	0.182	2	129.2490	0.033	2	129.0087	1.655	184	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	128.2250	0.000	1	128.2250	0.000	1	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	126.5900	0.000	1	126.5900	0.000	1	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O){2|C<4>,2|H<1>,3|C<3>}	127.7090	0.000	1	127.7090	0.000	1	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	129.7350	0.000	1	129.4437	0.736	6	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	130.3685	0.397	2	129.4437	0.736	6	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,3|H<1>,4|C<3>}	128.5680	0.000	1	129.4437	0.736	6	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	129.0930	0.000	1	129.4437	0.736	6	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	128.5290	0.000	1	129.4437	0.736	6	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	129.5520	0.000	1	128.9955	0.398	13	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|H<1>,2|O<2>,4|C<3>}	129.4365	0.347	2	128.9955	0.398	13	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	129.2745	0.319	6	128.9955	0.398	13	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	128.2400	0.000	1	128.9955	0.398	13	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|C<3>,4|H<1>}	128.5340	0.000	1	128.9955	0.398	13	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	128.4990	0.000	1	128.9955	0.398	13	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	127.5970	0.000	1	128.9955	0.398	13	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	130.0120	0.382	2	130.0120	0.146	2	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	133.1760	0.546	2	132.9282	0.274	4	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	132.6805	0.527	2	132.9282	0.274	4	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	127.8570	0.522	3	127.8570	0.273	3	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	128.9930	0.643	4	128.5254	0.460	8	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[5])(O){1|H<1>,1|O<1>,7|C<3>}	128.0577	0.277	4	128.5254	0.460	8	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	128.5947	0.753	6	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	128.7719	0.483	8	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	128.8960	0.417	2	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	128.6530	0.663	2	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	129.0055	0.525	2	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	129.1033	0.932	4	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	128.7300	0.954	12	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	128.8215	0.893	8	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	128.4400	0.034	2	128.7712	0.547	46	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	128.2290	0.274	2	128.2827	0.030	4	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(O){1|C<4>,4|C<3>,4|H<1>}	128.3365	0.050	2	128.2827	0.030	4	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	128.7480	0.113	2	128.9243	0.158	7	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|O<1>,2|H<1>,5|C<3>}	128.4980	0.148	2	128.9243	0.158	7	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	129.3260	0.051	3	128.9243	0.158	7	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O){2|C<3>,2|C<4>,4|H<1>}	132.0100	0.000	1	131.8165	0.075	2	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(O){2|C<3>,2|C<4>,4|H<1>}	131.6230	0.000	1	131.8165	0.075	2	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	132.2845	0.013	2	131.9868	0.160	4	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	131.6890	0.355	2	131.9868	0.160	4	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,4|C<3>}	131.3850	0.000	1	131.3850	0.000	1	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	132.7775	0.354	2	132.2235	0.179	8	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	131.9095	0.197	2	132.2235	0.179	8	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|C<4>,3|H<1>,4|C<3>}	132.1035	0.271	4	132.2235	0.179	8	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O){1|H<1>,2|C<3>,2|C<4>}	131.3300	0.000	1	131.3300	0.000	1	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(O){2|C<4>,3|H<1>,4|C<3>}	125.4140	0.000	1	125.4140	0.000	1	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	130.7050	0.000	1	130.7050	0.000	1	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]O)(O){2|C<3>,2|C<4>,3|H<1>}	130.4505	0.450	2	130.4505	0.203	2	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O){1|H<1>,4|C<3>}	130.3580	0.000	1	130.3580	0.000	1	129.3861	2.365	117	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O)	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](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2Cl)(O){3|Cl<1>,1|C<4>,3|C<3>}	128.5590	0.000	1	128.5590	0.000	1	128.5590	0.000	1	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	127.9150	0.000	1	127.9150	0.000	1	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	127.0000	0.000	1	127.0000	0.000	1	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	128.4900	0.000	1	128.4900	0.000	1	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H){1|H<1>,1|O<1>,2|C<3>}	127.6170	0.000	1	127.6170	0.000	1	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H){1|C<2>,2|C<3>,2|H<1>}	127.9440	0.000	1	127.9440	0.000	1	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ZrH)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ZrH)(H){1|C<5>,1|H<1>,2|C<3>}	130.5470	0.000	1	130.5470	0.000	1	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H){1|H<1>,2|C<3>}	134.8025	0.404	2	134.8967	0.108	3	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H){1|H<1>,2|C<3>}	135.0850	0.000	1	134.8967	0.108	3	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]ErC)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]ErC)(H){1|H<1>,2|C<3>}	135.5155	0.361	2	135.5155	0.131	2	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SmC)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SmC)(H){1|H<1>,2|C<3>}	134.8233	0.285	3	134.8233	0.081	3	132.1217	12.760	14	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,4|C<3>}	129.1110	0.000	1	129.1110	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	128.5450	0.000	1	128.5450	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	128.9400	0.000	1	128.9400	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	127.7557	0.364	6	127.7557	0.133	6	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O){1|H<1>,2|C<3>}	132.1130	0.000	1	132.1130	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	126.7740	0.000	1	126.7740	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	127.8170	0.000	1	127.8170	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){4|C<3>,4|H<1>}	127.4420	0.000	1	127.4420	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	127.7580	0.000	1	127.7580	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	127.4815	0.131	2	127.4815	0.017	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	127.8920	0.000	1	128.3820	0.147	5	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|H<1>,3|C<3>,3|C<4>}	128.5090	0.000	1	128.3820	0.147	5	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	128.5030	0.379	3	128.3820	0.147	5	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|N<3>,2|H<1>,4|C<3>}	127.1410	0.000	1	127.4740	0.079	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|C<4>,3|H<1>,4|C<3>}	127.7390	0.000	1	127.4740	0.079	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|C<4>,3|H<1>,4|C<3>}	127.5080	0.233	2	127.4740	0.079	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|N<3>,3|H<1>,4|C<3>}	128.3760	0.000	1	128.6677	0.216	3	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|O<2>,3|H<1>,4|C<3>}	128.8135	0.551	2	128.6677	0.216	3	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	128.6955	0.329	2	128.4336	0.384	7	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|N<3>,3|H<1>,4|C<3>}	129.5840	0.000	1	128.4336	0.384	7	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	128.1140	0.000	1	128.4336	0.384	7	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){2|C<4>,3|C<3>,3|H<1>}	128.0290	0.081	2	128.4336	0.384	7	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){3|H<1>,4|C<3>}	127.8880	0.000	1	128.4336	0.384	7	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	128.6080	0.154	2	129.0346	0.395	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	129.0595	0.070	2	129.0346	0.395	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	129.3095	0.049	2	129.0346	0.395	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	128.7585	0.485	4	129.0346	0.395	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	128.7255	0.289	2	129.0346	0.395	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,4|C<3>}	130.0230	1.162	2	129.0346	0.395	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(O){2|C<3>,3|H<1>}	128.3410	0.000	1	128.3410	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	128.5420	0.000	1	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	129.5810	0.000	1	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	129.1349	0.377	10	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	130.5500	0.000	1	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	128.8680	0.000	1	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	128.7310	0.000	1	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	128.2025	0.350	2	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	127.7938	0.670	4	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	127.8640	0.038	2	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	128.2620	0.000	1	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	128.0950	0.536	2	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	128.1090	0.000	1	128.6478	0.598	27	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O){2|H<1>,3|C<3>}	128.6350	0.000	1	128.6350	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	128.4975	0.593	6	128.7225	0.259	11	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	129.0480	0.000	1	128.7225	0.259	11	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	129.0240	0.000	1	128.7225	0.259	11	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,1|O<2>,3|C<3>}	129.2340	0.000	1	128.7225	0.259	11	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	128.8285	0.216	2	128.7225	0.259	11	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O){2|C<3>,3|H<1>}	128.6655	0.391	2	128.6655	0.153	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	128.1920	0.000	1	128.7663	0.115	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	128.7905	0.368	6	128.7663	0.115	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	128.7180	0.243	2	128.7663	0.115	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<2>,3|C<3>}	129.3580	0.000	1	128.7663	0.115	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	128.8090	0.119	3	128.7663	0.115	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	128.5720	0.000	1	128.7663	0.115	14	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,2|H<1>}	127.9140	0.000	1	127.8662	0.098	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,3|H<1>}	127.6450	0.198	2	127.8662	0.098	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,3|H<1>}	128.2610	0.000	1	127.8662	0.098	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){1|C<4>,3|C<3>,4|H<1>}	128.4060	0.000	1	128.4060	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|O<1>,2|H<1>,4|C<3>}	128.9145	0.616	2	128.9145	0.379	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O){2|H<1>,3|C<3>}	127.8030	0.000	1	127.8030	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O){1|Br<1>,2|C<3>,2|H<1>}	128.7160	0.000	1	128.7160	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	127.8580	0.563	4	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	129.2620	0.000	1	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	128.6363	0.276	3	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	128.8800	0.000	1	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	128.3490	0.000	1	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	128.8170	0.000	1	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|S<2>,2|C<3>,2|H<1>}	129.4710	0.000	1	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	128.6105	0.726	2	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	129.9130	1.045	2	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	128.4980	0.000	1	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	128.4803	0.356	3	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	128.6260	0.000	1	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	129.7145	0.025	2	128.7461	0.548	23	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,1|H<1>,3|C<3>}	128.9030	0.371	2	128.7537	0.136	3	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){2|H<1>,3|C<3>}	128.4550	0.000	1	128.7537	0.136	3	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O){1|H<1>,1|O<1>,2|C<3>}	128.5427	0.236	6	128.5427	0.056	6	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O){1|H<1>,1|N<2>,2|C<3>}	128.7490	0.000	1	128.7490	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)(O){1|H<1>,1|O<1>,4|C<3>}	128.6120	0.305	2	128.6120	0.093	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	128.4400	0.815	4	128.4400	0.663	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O){2|C<3>,3|H<1>}	129.2250	0.000	1	129.2250	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O){2|C<3>,3|H<1>}	128.3390	0.488	3	128.3390	0.238	3	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	128.3690	0.936	7	128.3690	0.876	7	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(O){1|H<1>,1|O<1>,6|C<3>}	128.5434	0.535	10	128.5434	0.286	10	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(O){1|H<1>,1|O<1>,7|C<3>}	128.2987	0.323	10	128.2987	0.105	10	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){1|H<1>,6|C<3>}	128.5730	0.000	1	127.9945	0.669	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){3|H<1>,4|C<3>}	127.4160	0.000	1	127.9945	0.669	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O){3|H<1>,4|C<3>}	128.3240	0.000	1	128.3240	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){1|H<1>,1|O<1>,4|C<3>}	129.1040	0.788	2	128.9313	0.320	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){2|H<1>,5|C<3>}	129.0900	0.000	1	128.9313	0.320	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){2|H<1>,5|C<3>}	128.4270	0.000	1	128.9313	0.320	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|O<2>,2|H<1>,4|C<3>}	128.8660	0.000	1	128.1133	0.740	3	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|H<1>,5|C<3>}	127.7370	0.793	2	128.1133	0.740	3	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]S)(O){1|H<1>,1|O<1>,4|C<3>}	128.0495	0.045	2	128.0495	0.002	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(O){1|N<2>,3|C<3>,3|H<1>}	128.0070	0.000	1	128.0070	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	128.1730	0.000	1	128.1730	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	128.6724	0.420	5	128.6724	0.176	5	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.9060	0.000	1	127.8695	0.003	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	127.8330	0.000	1	127.8695	0.003	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,2|C<3>,2|H<1>}	126.9650	0.000	1	126.9650	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O){2|C<3>,3|H<1>}	127.1910	1.526	2	127.1910	2.328	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	130.8920	0.000	1	130.8920	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,1|S<4>,2|C<3>}	129.6230	0.000	1	129.6230	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	130.3510	0.000	1	130.3510	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	130.6870	0.000	1	130.6870	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){1|H<1>,7|C<3>}	129.9680	0.000	1	130.4980	0.562	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	131.0280	0.000	1	130.4980	0.562	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){1|C<4>,1|H<1>,6|C<3>}	130.0580	0.000	1	130.3307	0.066	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){1|N<3>,2|H<1>,5|C<3>}	130.4890	0.000	1	130.3307	0.066	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){2|H<1>,6|C<3>}	130.3880	0.303	2	130.3307	0.066	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	130.7285	0.180	2	130.4640	0.109	5	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	130.3700	0.358	2	130.4640	0.109	5	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	130.1230	0.000	1	130.4640	0.109	5	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2N[5])(O){1|H<1>,7|C<3>}	129.4460	0.000	1	129.4460	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(O){1|C<4>,3|H<1>,5|C<3>}	129.7140	0.000	1	129.7140	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[6]N[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[6]N[5])(O){1|C<4>,3|H<1>,5|C<3>}	131.1070	0.446	3	131.1070	0.199	3	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	131.0025	0.215	4	130.8625	0.095	6	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	130.3560	0.000	1	130.8625	0.095	6	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	130.8090	0.000	1	130.8625	0.095	6	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O){1|H<1>,5|C<3>}	129.1555	0.013	2	129.1555	0.000	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){2|C<3>,2|H<1>}	131.8840	0.000	1	129.5320	2.597	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,1|S<4>,2|C<3>}	129.2750	0.000	1	129.5320	2.597	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,3|C<3>}	128.4850	0.000	1	129.5320	2.597	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,3|C<3>}	128.4840	0.000	1	129.5320	2.597	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O){1|H<1>,3|C<3>}	128.6850	0.000	1	128.6850	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O){1|H<1>,3|C<3>}	129.9500	0.000	1	129.9500	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	129.8260	1.172	2	129.8260	1.374	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,3|C<3>}	129.6548	0.272	4	129.6548	0.074	4	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	131.9510	0.000	1	131.9510	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	132.0690	0.000	1	132.0690	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O){1|H<1>,2|C<3>}	131.8670	0.000	1	131.8670	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(O){1|H<1>,1|N<3>,4|C<3>}	131.4755	0.303	2	131.4755	0.092	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]O)(O){1|C<4>,2|H<1>,3|C<3>}	132.4640	0.000	1	132.4640	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O){1|H<1>,6|C<3>}	131.6210	0.000	1	131.6210	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O){1|H<1>,4|C<3>}	131.8530	0.000	1	131.8530	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	132.4270	0.000	1	132.2608	0.271	9	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	132.1872	0.490	5	132.2608	0.271	9	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	132.7505	0.252	2	132.2608	0.271	9	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	131.4830	0.000	1	132.2608	0.271	9	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	132.9260	0.000	1	132.9260	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O){1|H<1>,2|C<3>}	132.7990	0.000	1	132.7990	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O){1|H<1>,2|C<3>}	132.5160	0.000	1	132.5160	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	131.0640	0.666	2	131.0640	0.444	2	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O){1|H<1>,2|C<3>}	125.2170	0.000	1	125.2170	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<3>,1|N<3>,3|H<1>}	128.8720	0.000	1	128.8720	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<3>,1|N<2>,3|H<1>}	130.0940	0.000	1	130.0940	0.000	1	129.0390	1.731	273	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O){1|H<1>,1|N<3>,5|C<3>}	121.4110	0.000	1	121.4110	0.000	1	121.4110	0.000	1	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,3|C<3>}	125.2020	0.000	1	125.2020	0.000	1	125.2020	0.000	1	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[5,5,6]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2C)(O){2|C<4>,3|C<3>,3|H<1>}	128.5540	0.226	2	128.5540	0.051	2	128.5540	0.051	2	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[5,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	128.2475	0.231	2	128.2475	0.053	2	128.2475	0.053	2	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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[5,6]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]2)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	128.7055	0.090	2	128.7055	0.008	2	128.7055	0.008	2	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,1|O<1>,2|C<3>}	128.6555	0.286	2	128.6555	0.082	2	128.5720	0.048	7	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	128.5386	0.216	5	128.5386	0.047	5	128.5720	0.048	7	129.1604	2.584	672	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	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[5,5]-4:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a])	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](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a]){1|Ga<3>,2|H<1>,5|C<3>}	134.2480	0.276	2	134.2480	0.076	2	134.2480	0.076	2	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	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]-4:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	134.4151	0.310	8	134.4151	0.096	8	134.2153	0.465	10	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	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]-4:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a])	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]){1|H<1>,3|C<3>}	134.3950	0.000	1	134.3950	0.000	1	134.2153	0.465	10	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	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]-4:N-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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]NiN)(NSi)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]NiN)(NSi){1|H<1>,3|C<3>}	132.4370	0.000	1	132.4370	0.000	1	134.2153	0.465	10	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	129.7135	0.334	2	129.7135	0.112	2	128.9007	2.038	3	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO){2|C<3>,2|C<4>,4|H<1>}	127.2750	0.000	1	127.2750	0.000	1	128.9007	2.038	3	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	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]-4:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]){2|H<1>,2|O<1>,7|C<3>}	130.5160	0.000	1	130.5160	0.000	1	130.4155	0.020	2	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	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]-4:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(N[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(N[5]S[5]){2|O<1>,3|H<1>,6|C<3>}	130.3150	0.000	1	130.3150	0.000	1	130.4155	0.020	2	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6]-4:N[5]-2:	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5])	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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5]){1|O<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	129.4660	0.000	1	129.4660	0.000	1	129.4660	0.000	1	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:C-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC){1|O<2>,2|C<3>,2|H<1>}	128.3050	0.000	1	128.3050	0.000	1	128.3050	0.000	1	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN){2|C<3>,3|H<1>}	128.9630	0.000	1	128.9630	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO){1|C<4>,2|C<3>,2|H<1>}	126.2280	0.000	1	126.2280	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	129.1060	0.000	1	129.1060	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	129.1495	0.302	2	129.0857	0.058	3	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	128.9580	0.000	1	129.0857	0.058	3	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO){2|C<3>,3|H<1>}	130.4740	0.000	1	130.4740	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS){1|C<4>,2|C<3>,2|H<1>}	128.6070	0.000	1	128.6070	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	129.0970	0.000	1	129.0970	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC){1|N<3>,2|H<1>,3|C<3>}	131.1240	0.000	1	131.1240	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a]){2|H<1>,4|C<3>}	132.6900	0.000	1	132.6900	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a]){1|C<4>,1|H<1>,4|C<3>}	132.9540	0.000	1	132.9540	0.000	1	129.7083	3.447	12	131.3695	7.002	31	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	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[5,5]-4: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)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC){1|C<4>,1|H<1>,6|C<3>}	133.8965	0.397	2	133.8965	0.157	2	133.8965	0.157	2	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	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]-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]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]Zn)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]Zn){1|H<1>,3|C<3>}	134.7240	0.000	1	134.7240	0.000	1	134.7873	0.008	3	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	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]-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]N)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]Mg)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]Mg){1|H<1>,3|C<3>}	134.8190	0.102	2	134.8190	0.010	2	134.7873	0.008	3	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4: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)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC)	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](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC){1|H<1>,3|C<3>}	128.9420	0.000	1	128.9420	0.000	1	128.9780	0.003	2	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4: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)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C)	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](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C){1|H<1>,3|C<3>}	129.0140	0.000	1	129.0140	0.000	1	128.9780	0.003	2	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-4:C[5]-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](C[5,6a]C[5,6a]C[6a])(C[4]C[4]2H)(C[5]C[5]C)	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](C[5,6a]C[5,6a]C[6a])(C[4]C[4]2H)(C[5]C[5]C){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	130.6040	0.000	1	130.6040	0.000	1	130.6040	0.000	1	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5,6]-4:C-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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2){2|C<3>,3|C<4>,3|H<1>}	130.1760	0.000	1	130.1760	0.000	1	130.5092	0.564	6	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5,6]-4:C-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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2){2|C<3>,3|C<4>,3|H<1>}	131.0060	0.000	1	131.0060	0.000	1	130.5092	0.564	6	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5,6]-4:C-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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]C){2|C<3>,3|C<4>,3|H<1>}	131.1470	0.000	1	131.1470	0.000	1	130.5092	0.564	6	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5,6]-4:C-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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H){2|C<3>,3|C<4>,3|H<1>}	130.2420	0.959	3	130.2420	0.920	3	130.5092	0.564	6	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5,6]-4:C[6]-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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	130.9670	0.000	1	131.2090	0.117	2	131.2090	0.117	2	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,5,6]-4:C[6]-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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){4|C<3>,4|H<1>,5|C<4>}	131.4510	0.000	1	131.2090	0.117	2	131.2090	0.117	2	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	129.1920	0.000	1	129.1920	0.000	1	129.3726	0.325	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H){3|H<1>,4|C<3>}	128.7420	0.000	1	128.7420	0.000	1	129.3726	0.325	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	129.0000	0.000	1	129.0000	0.000	1	129.3726	0.325	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	129.9645	0.179	2	129.9645	0.032	2	129.3726	0.325	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2){3|H<1>,7|C<3>}	135.7220	0.000	1	135.7220	0.000	1	135.7220	0.000	1	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	129.9370	0.000	1	129.9370	0.000	1	129.9370	0.000	1	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH){1|O<1>,3|H<1>,5|C<3>}	128.4735	0.108	2	128.4735	0.012	2	128.4735	0.012	2	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	134.4620	0.000	1	134.4620	0.000	1	134.4620	0.000	1	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Rh)(NC[6a]B[5])	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Rh)(NC[6a]B[5]){2|C<3>,2|C<4>,2|H<1>}	131.8490	0.000	1	131.8490	0.000	1	131.8490	0.000	1	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-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]Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	131.2770	0.000	1	131.2770	0.000	1	132.2922	1.869	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	132.2680	0.000	1	131.8437	0.135	3	132.2922	1.869	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	131.6310	0.000	1	131.8437	0.135	3	132.2922	1.869	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	131.6320	0.000	1	131.8437	0.135	3	132.2922	1.869	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2){3|H<1>,4|C<3>}	134.6530	0.000	1	134.6530	0.000	1	132.2922	1.869	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C){1|B<3>,1|C<4>,1|H<1>,6|C<3>}	127.4350	0.000	1	127.4350	0.000	1	127.4350	0.000	1	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-4: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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(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|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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){3|C<3>,3|H<1>,5|C<4>}	130.9420	0.000	1	130.9555	0.000	2	131.9592	1.527	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-4: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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(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|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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,4|C<4>,5|H<1>}	130.9690	0.000	1	130.9555	0.000	2	131.9592	1.527	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-4: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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]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|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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	131.7480	0.000	1	131.9630	0.092	2	131.9592	1.527	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-4: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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]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|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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	132.1780	0.000	1	131.9630	0.092	2	131.9592	1.527	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6]-4:C[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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[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>,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](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H){1|C<4>,1|W<7>,3|C<3>,4|H<1>}	133.9590	0.000	1	133.9590	0.000	1	131.9592	1.527	5	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH)	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](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	129.2050	0.253	2	129.2050	0.064	2	129.2050	0.064	2	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH){1|H<1>,1|N<3>,5|C<3>}	129.7405	0.518	2	129.7405	0.269	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	128.2890	0.000	1	128.7630	0.449	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|N<3>,2|C<3>,2|H<1>}	129.2370	0.000	1	128.7630	0.449	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){1|N<2>,2|C<3>,2|H<1>}	129.9400	0.000	1	130.0390	0.020	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){2|C<3>,3|H<1>}	130.1380	0.000	1	130.0390	0.020	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.5120	0.000	1	129.5120	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C){2|C<3>,3|H<1>}	130.6890	0.000	1	130.6890	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	129.3270	0.000	1	129.7545	0.366	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	130.1820	0.000	1	129.7545	0.366	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH){1|O<2>,2|C<3>,2|H<1>}	129.9965	0.876	2	129.9965	0.768	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd2)(CC[5a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd2)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	131.6388	0.944	4	131.6388	0.890	4	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a]){1|H<1>,3|C<3>}	130.7935	0.252	2	130.7935	0.064	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	130.4710	1.830	2	130.4710	3.349	2	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH){1|H<1>,1|O<1>,2|C<3>}	129.4440	0.000	1	129.4440	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]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|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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	132.5540	0.000	1	132.5540	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]C){1|H<1>,3|C<3>}	131.7790	0.000	1	131.7790	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|H<1>,1|S<4>,2|C<3>}	128.2330	0.000	1	128.2330	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a]){1|H<1>,5|C<3>}	133.7770	0.000	1	133.7770	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH){2|H<1>,4|C<3>}	133.4560	0.000	1	133.4560	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H){1|H<1>,4|C<3>}	132.6670	0.326	4	132.6670	0.106	4	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH){1|H<1>,4|C<3>}	132.8920	0.000	1	132.8920	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	133.3498	1.199	4	133.3498	1.437	4	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H){1|H<1>,2|C<3>}	134.0460	0.000	1	134.0460	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH){1|H<1>,2|C<3>}	132.8150	0.000	1	132.8150	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[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](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	126.5980	0.000	1	126.5980	0.000	1	131.1982	3.551	38	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	128.8715	0.469	2	128.8715	0.220	2	130.3554	2.377	17	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]Re)(C[5]C[5]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]Re)(C[5]C[5]C){3|C<3>,3|C<4>,3|H<1>}	130.8120	0.000	1	130.8120	0.000	1	130.3554	2.377	17	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(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>,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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H){1|Mo<8>,2|C<3>,4|C<4>,7|H<1>}	131.2620	0.000	1	131.2620	0.000	1	130.3554	2.377	17	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(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){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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	131.9173	0.345	3	131.9173	0.119	3	130.3554	2.377	17	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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<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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,7|H<1>}	130.7380	0.000	1	130.7120	0.006	5	130.3554	2.377	17	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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|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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){1|O<1>,4|C<3>,5|H<1>}	130.7055	0.090	4	130.7120	0.006	5	130.3554	2.377	17	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	128.4477	0.805	4	128.4477	0.648	4	130.3554	2.377	17	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H){2|C<4>,2|H<1>,4|C<3>}	133.1220	0.000	1	133.1220	0.000	1	130.3554	2.377	17	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NAlNi)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NAlNi){2|C<3>,3|H<1>}	130.2330	0.000	1	130.2330	0.000	1	130.5903	0.129	3	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NAlNi)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NAlNi){2|C<3>,3|H<1>}	130.9510	0.000	1	130.9510	0.000	1	130.5903	0.129	3	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NNiSi)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NNiSi){2|C<3>,3|H<1>}	130.5870	0.000	1	130.5870	0.000	1	130.5903	0.129	3	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-4: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](C[5,6a]C[5,6a]C[6a])(PC[6a]2Pt)(C[5]C[5]P)	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](C[5,6a]C[5,6a]C[6a])(PC[6a]2Pt)(C[5]C[5]P){2|C<3>,3|H<1>}	132.1720	0.000	1	132.1720	0.000	1	131.5583	0.727	3	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-4: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](C[5,6a]C[5,6a]C[6a])(PC[6a]2Ru)(C[5]C[5]N)	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](C[5,6a]C[5,6a]C[6a])(PC[6a]2Ru)(C[5]C[5]N){2|C<3>,3|H<1>}	131.2515	0.943	2	131.2515	0.888	2	131.5583	0.727	3	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]2){1|C<4>,2|C<3>,2|H<1>}	131.2570	0.000	1	131.2570	0.000	1	131.2570	0.000	1	131.0622	3.592	102	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	133.6270	0.000	1	133.6270	0.000	1	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	132.3690	0.000	1	132.3216	0.196	5	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	132.2747	0.619	3	132.3216	0.196	5	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	132.4150	0.000	1	132.3216	0.196	5	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	132.3650	0.180	2	132.5464	0.188	12	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	132.5635	0.504	6	132.5464	0.188	12	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	132.6115	0.476	4	132.5464	0.188	12	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	132.5752	0.352	10	132.4973	0.135	12	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	132.1080	0.035	2	132.4973	0.135	12	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	132.3534	0.366	5	132.4303	0.143	6	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	132.8150	0.000	1	132.4303	0.143	6	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	133.5180	0.000	1	132.5965	0.153	13	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	132.5514	0.279	11	132.5965	0.153	13	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	132.1710	0.000	1	132.5965	0.153	13	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,3|C<4>,4|C<3>}	132.1310	0.000	1	132.5683	0.481	8	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	131.9590	0.000	1	132.5683	0.481	8	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(O){2|H<1>,3|C<4>,4|C<3>}	132.7427	0.724	6	132.5683	0.481	8	132.5376	0.211	57	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,6]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,6]C[5,6a]C[5,6]N[5,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	132.6905	0.111	4	132.6905	0.012	4	132.6017	0.036	7	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,6|C<3>}	132.7030	0.000	1	132.7030	0.000	1	132.6017	0.036	7	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	132.2470	0.000	1	132.2470	0.000	1	132.6017	0.036	7	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a,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:O-1:	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](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	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](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,7|C<3>}	132.5000	0.000	1	132.5000	0.000	1	132.6017	0.036	7	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	127.9940	0.520	2	128.2702	0.254	6	128.5603	0.801	7	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,5|C<3>}	128.4083	0.507	4	128.2702	0.254	6	128.5603	0.801	7	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,5|C<3>}	130.3010	0.000	1	130.3010	0.000	1	128.5603	0.801	7	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:O-1:	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](C[3x5,6]C[3x5,6]C[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5,6]C[3x5,6]C[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	128.1080	0.000	1	128.1080	0.000	1	128.6075	0.499	2	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:O-1:	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](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,2|O<2>,5|C<3>}	129.1070	0.000	1	129.1070	0.000	1	128.6075	0.499	2	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,4|C<4>}	127.7130	0.000	1	128.4235	0.261	4	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	128.6603	0.235	3	128.4235	0.261	4	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,4|C<4>}	128.3337	0.580	3	128.3280	0.206	7	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	128.0360	0.471	2	128.3280	0.206	7	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5,6]C[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	128.6115	0.100	2	128.3280	0.206	7	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,2|C<3>,2|O<2>,4|C<4>}	127.7990	0.000	1	127.9333	0.155	3	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5]2N[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,3|C<3>,4|C<4>}	128.0005	0.531	2	127.9333	0.155	3	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	128.3678	0.718	4	128.3678	0.516	4	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	131.3970	0.000	1	131.3970	0.000	1	128.4557	0.750	19	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:O-1:	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](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	128.4940	0.000	1	128.4940	0.000	1	128.4940	0.000	1	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|C<3>,4|H<1>}	132.3600	0.000	1	132.4505	0.016	2	132.4505	0.016	2	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|C<3>,3|H<1>}	132.5410	0.000	1	132.4505	0.016	2	132.4505	0.016	2	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	128.1215	0.151	4	128.2492	0.099	5	128.4165	0.247	6	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,3x6]C[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,6|C<3>}	128.7600	0.000	1	128.2492	0.099	5	128.4165	0.247	6	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,3x6]N[5,6,6]C[6,6]N[6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,5|C<4>}	129.2530	0.000	1	129.2530	0.000	1	128.4165	0.247	6	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<4>,4|C<3>,4|H<1>}	128.6690	0.000	1	128.6690	0.000	1	128.1957	0.187	3	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,8|C<3>}	127.8210	0.000	1	127.8210	0.000	1	128.1957	0.187	3	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	128.0970	0.000	1	128.0970	0.000	1	128.1957	0.187	3	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	126.8050	0.000	1	126.8050	0.000	1	129.7588	3.145	6	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	128.7250	0.000	1	128.7250	0.000	1	129.7588	3.145	6	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	130.5093	0.784	3	130.5093	0.614	3	129.7588	3.145	6	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5,6]C[5,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5,6]C[5,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	131.4950	0.000	1	131.4950	0.000	1	129.7588	3.145	6	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	127.8770	0.000	1	127.8770	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	128.6190	0.000	2	128.1480	0.268	6	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	128.0377	0.494	3	128.1480	0.268	6	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	127.5370	0.000	1	128.1480	0.268	6	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	128.0010	0.000	1	128.0010	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	128.2670	0.000	1	128.2670	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,6|C<3>}	127.3940	0.000	1	127.3940	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	128.4010	0.000	1	128.4870	0.108	10	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	128.2010	0.000	1	128.4870	0.108	10	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	128.5970	0.000	1	128.4870	0.108	10	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	128.5244	0.378	7	128.4870	0.108	10	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	127.7490	0.000	1	127.7490	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	128.8317	0.853	4	128.7183	0.641	8	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	128.6047	0.857	4	128.7183	0.641	8	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|S<2>,3|C<3>,3|C<4>}	128.8220	0.204	2	128.9957	0.169	26	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	129.0127	0.498	16	128.9957	0.169	26	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	128.9970	0.276	6	128.9957	0.169	26	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	129.0300	0.103	2	128.9957	0.169	26	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	128.8950	0.490	10	128.8950	0.240	10	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	128.9813	0.792	10	128.9813	0.628	10	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	129.1885	0.689	2	129.1885	0.475	2	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	128.4050	0.000	1	128.5390	0.379	8	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	128.5581	0.663	7	128.5390	0.379	8	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	130.6870	0.000	1	130.6870	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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>}	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](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	129.5660	0.000	1	129.5660	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	130.2270	0.000	1	130.7490	0.258	3	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	130.7790	0.000	1	130.7490	0.258	3	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,6|C<3>}	131.2410	0.000	1	130.7490	0.258	3	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	131.8250	0.000	1	132.1025	0.154	2	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,7|C<3>}	132.3800	0.000	1	132.1025	0.154	2	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	125.6905	0.269	2	125.6905	0.073	2	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	125.7210	0.233	3	125.7296	0.051	5	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,6|C<3>}	125.7425	0.306	2	125.7296	0.051	5	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	125.8560	0.000	1	125.8560	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	131.2897	0.295	4	131.2897	0.087	4	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	130.4265	0.439	2	130.4265	0.193	2	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	129.8620	0.000	1	129.8620	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,5]N[5,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,5]N[5,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	131.3100	0.000	1	131.3100	0.000	1	128.8140	1.720	108	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	127.9410	0.396	5	128.0053	0.150	6	128.6907	0.393	25	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	128.3270	0.000	1	128.0053	0.150	6	128.6907	0.393	25	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	128.3180	0.000	1	128.3180	0.000	1	128.6907	0.393	25	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	128.4330	0.000	1	128.4330	0.000	1	128.6907	0.393	25	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	128.9896	0.378	10	128.9896	0.143	10	128.6907	0.393	25	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	128.4575	0.141	4	128.4575	0.020	4	128.6907	0.393	25	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,4|C<4>,5|H<1>}	128.8620	0.000	1	128.8620	0.000	1	128.6907	0.393	25	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6,6]C[6,6]N[5,6]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>,4|C<4>}	129.9480	0.000	2	129.9480	0.000	2	128.6907	0.393	25	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	128.7585	0.395	2	128.6495	0.068	4	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	128.5405	0.013	2	128.6495	0.068	4	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]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|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](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	127.9470	0.000	1	127.9470	0.000	1	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]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|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](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	129.0370	1.240	2	129.0370	1.538	2	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[5,6a]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|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](C[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	128.3200	0.000	1	128.3200	0.000	1	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|O<1>,2|H<1>,6|C<3>}	128.6690	0.285	6	128.6595	0.065	8	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	128.6310	0.222	2	128.6595	0.065	8	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	129.2480	0.096	2	129.2480	0.009	2	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	128.3505	0.804	2	128.3505	0.646	2	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<1>,5|C<3>}	128.4875	0.131	2	128.4875	0.017	2	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	128.4065	0.409	2	128.4065	0.168	2	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[3x6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O){3|C<3>,3|C<4>,4|H<1>}	130.7490	0.000	1	130.7490	0.000	1	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,2|N<3>,5|C<3>}	130.6125	0.078	2	130.6125	0.006	2	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,7|C<3>}	130.3270	0.000	1	130.3270	0.000	1	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	129.4980	0.000	1	129.4980	0.000	1	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,6|C<3>}	128.9220	0.000	1	128.9220	0.000	1	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:1:	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:O-1:	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](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	130.7180	0.178	2	130.7180	0.032	2	129.0424	0.787	32	129.6953	3.585	275	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[4,5]-4:C[5,6a]-3:N-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](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(NN)	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](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(NN){1|C<4>,3|C<3>,3|H<1>}	135.7030	0.000	1	135.7030	0.000	1	135.7030	0.000	1	135.7030	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH)	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](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	131.9690	0.000	1	131.9690	0.000	1	131.2626	0.191	5	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH)	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](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,5|C<3>}	131.0860	0.215	4	131.0860	0.046	4	131.2626	0.191	5	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	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](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|O<1>,2|H<1>,6|C<3>}	128.4580	0.017	2	128.4580	0.000	2	130.3423	2.507	7	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])	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](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]){1|H<1>,6|C<3>}	132.7580	0.000	1	132.7580	0.000	1	130.3423	2.507	7	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[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](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	130.3820	0.000	1	130.3820	0.000	1	130.3423	2.507	7	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	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](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	130.2500	0.000	1	130.2500	0.000	1	130.3423	2.507	7	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH)	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](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH){2|H<1>,6|C<3>}	131.7900	0.000	1	131.7900	0.000	1	130.3423	2.507	7	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH)	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](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,6|C<3>}	130.3000	0.000	1	130.3000	0.000	1	130.3423	2.507	7	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	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](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	132.0145	0.302	2	132.0145	0.091	2	132.0145	0.091	2	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	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](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	135.1670	0.000	1	135.1670	0.000	1	135.1670	0.000	1	131.1937	2.724	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:4:	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-4:	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](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	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](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Si<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	130.0240	0.000	1	130.0240	0.000	1	130.0240	0.000	1	130.0240	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	5:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x3,4,4x5,14x6]-5:C[5,6a]-3:O-1:	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](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]B[5x3,5x5,17x6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]B[5x3,5x5,17x6])(C[5,6a]C[5,6a]C[6a])(O){1|C<5>,2|C<3>,4|H<1>,5|B<6>}	127.5830	0.000	1	127.5830	0.000	1	127.5830	0.000	1	127.5830	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	6:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:O-1:	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](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(O)	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](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,5|B<6>,5|H<1>}	125.2948	1.908	5	125.2948	3.642	5	125.2948	3.642	5	125.2948	3.642	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	6:3:3:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:	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](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	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](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<6>,2|C<3>,2|C<4>,4|B<6>,6|H<1>}	132.0640	0.000	1	132.0640	0.000	1	132.0640	0.000	1	132.8120	1.119	2	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:1:	6:3:3:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:	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](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	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](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){2|C<3>,5|B<6>,8|H<1>}	133.5600	0.000	1	133.5600	0.000	1	133.5600	0.000	1	132.8120	1.119	2	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|O<2>}	128.4520	0.000	1	128.4520	0.000	1	129.7827	0.514	7	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	130.0045	0.452	6	130.0045	0.204	6	129.7827	0.514	7	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,2|C<3>,2|O<2>}	128.7210	0.000	1	128.7210	0.000	1	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|O<2>,3|C<3>}	130.7990	0.000	1	130.7990	0.000	1	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	130.9680	0.000	1	131.2505	0.160	2	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	131.5330	0.000	1	131.2505	0.160	2	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	128.6850	0.000	1	129.0540	0.272	2	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	129.4230	0.000	1	129.0540	0.272	2	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.8650	0.000	1	127.8650	0.000	1	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	130.3560	0.000	1	130.7965	0.459	4	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	131.2240	0.803	2	130.7965	0.459	4	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,3|C<3>}	130.3820	0.000	1	130.7965	0.459	4	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	129.6865	0.308	2	129.6713	0.048	3	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>}	129.6410	0.000	1	129.6713	0.048	3	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|O<2>}	131.0190	0.000	1	130.6550	1.087	3	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	131.4670	0.000	1	130.6550	1.087	3	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	129.4790	0.000	1	130.6550	1.087	3	130.1270	1.231	17	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	128.6840	0.000	1	128.6840	0.000	1	129.2495	0.640	2	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O-2:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.8150	0.000	1	129.8150	0.000	1	129.2495	0.640	2	129.9668	1.005	26	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	133.5780	0.072	2	133.5780	0.005	2	133.1562	0.206	6	132.9541	0.496	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	132.9452	0.405	4	132.9452	0.164	4	133.1562	0.206	6	132.9541	0.496	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:N[5]-2:N-2:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|S<2>,2|C<3>}	132.3480	1.209	2	132.3480	1.462	2	132.3480	1.462	2	132.9541	0.496	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[5,6a]-3:H-1:	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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]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](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	130.5280	0.000	1	130.5280	0.000	1	130.5280	0.000	1	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H){1|O<2>,2|C<3>,5|C<4>}	131.3520	0.000	1	131.3520	0.000	1	131.3520	0.000	1	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|F<1>,1|O<2>,4|C<3>}	129.1170	0.000	1	129.1170	0.000	1	129.1529	1.629	7	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	130.1887	0.423	3	130.1887	0.179	3	129.1529	1.629	7	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	128.1290	1.235	3	128.1290	1.525	3	129.1529	1.629	7	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	133.9855	0.496	2	133.9855	0.246	2	133.9855	0.246	2	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<2>,1|O<1>,2|C<3>}	128.5095	0.202	4	128.5095	0.041	4	128.5095	0.041	4	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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[5]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|O<2>,2|O<1>,4|C<3>}	127.7870	0.000	1	127.7870	0.000	1	127.7870	0.000	1	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	132.8565	0.456	4	132.8565	0.208	4	132.7138	0.176	6	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	132.4285	0.107	2	132.4285	0.011	2	132.7138	0.176	6	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	134.0800	0.000	1	133.9330	0.043	2	133.9330	0.043	2	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|Ni<4>,1|N<2>,2|C<3>}	133.7860	0.000	1	133.9330	0.043	2	133.9330	0.043	2	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	129.7640	0.595	2	129.7640	0.354	2	131.1183	2.362	6	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	131.1193	0.483	3	131.1193	0.233	3	131.1183	2.362	6	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|O<2>,2|C<3>}	133.8240	0.000	1	133.8240	0.000	1	131.1183	2.362	6	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>}	131.9160	0.000	1	131.9160	0.000	1	131.0677	0.681	3	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	130.2680	0.000	1	130.2680	0.000	1	131.0677	0.681	3	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|O<2>,2|C<3>}	131.0190	0.000	1	131.0190	0.000	1	131.0677	0.681	3	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){2|O<2>,3|C<3>}	130.1545	0.161	2	130.1545	0.026	2	130.2176	1.508	9	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	130.2895	3.137	2	129.8750	5.437	3	130.2176	1.508	9	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	129.0460	0.000	1	129.8750	5.437	3	130.2176	1.508	9	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	130.7690	0.395	2	130.7690	0.156	2	130.2176	1.508	9	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,3|C<3>}	130.1010	0.000	1	130.2430	0.040	2	130.2176	1.508	9	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|O<2>,3|C<3>}	130.3850	0.000	1	130.2430	0.040	2	130.2176	1.508	9	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	133.2810	0.154	2	133.2810	0.024	2	133.2810	0.024	2	130.8711	3.805	44	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-3:O[5]-2:	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](C[5,6a]C[5,6a]C[6a])(NC[6a]Fe)(O[5]C[5])	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](C[5,6a]C[5,6a]C[6a])(NC[6a]Fe)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	129.0030	0.000	1	129.0030	0.000	1	129.0030	0.000	1	129.0030	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6,6a]-3:C[5]-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[5,6,6a]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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	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](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	133.7145	0.255	2	133.7145	0.065	2	133.7145	0.065	2	131.8957	2.640	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(CHS)	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](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	131.2455	0.377	6	131.2455	0.142	6	131.2455	0.142	6	131.8957	2.640	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	131.8325	0.240	2	131.8325	0.057	2	131.8325	0.057	2	131.8957	2.640	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]H)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	131.5140	0.000	1	131.5140	0.000	1	131.7815	0.143	2	131.8957	2.640	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	132.0490	0.000	1	132.0490	0.000	1	131.7815	0.143	2	131.8957	2.640	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2)	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](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	136.0490	0.000	1	136.0490	0.000	1	136.0490	0.000	1	131.8957	2.640	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-2:	C[5,6a]-3:C[5]-3:C-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C){1|N<2>,2|C<3>,2|H<1>}	128.8430	0.000	1	128.8430	0.000	1	128.8430	0.000	1	131.8957	2.640	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|O<1>,1|O<2>,2|C<3>}	131.4130	0.000	1	131.4130	0.000	1	131.4130	0.000	1	131.8957	2.640	15	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	130.8340	0.858	2	130.5336	0.483	5	130.5336	0.483	5	130.5336	0.483	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	130.3333	0.668	3	130.5336	0.483	5	130.5336	0.483	5	130.5336	0.483	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O){1|O<2>,3|C<3>,4|C<4>}	126.7420	0.000	1	126.7420	0.000	1	132.6834	2.493	23	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|O<2>,5|C<3>}	130.5430	1.062	2	130.5430	1.128	2	132.6834	2.493	23	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	133.1934	0.473	19	133.1934	0.224	19	132.6834	2.493	23	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	133.2160	0.000	1	133.2160	0.000	1	132.6834	2.493	23	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|C<2>,1|H<1>,2|C<3>}	132.4030	0.000	1	132.1205	0.160	2	132.1205	0.160	2	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|C<2>,1|H<1>,2|C<3>}	131.8380	0.000	1	132.1205	0.160	2	132.1205	0.160	2	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	130.3490	0.000	1	130.3490	0.000	1	129.4426	2.206	7	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	130.2583	0.151	3	130.2583	0.023	3	129.4426	2.206	7	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	127.2740	0.000	2	127.2740	0.000	2	129.4426	2.206	7	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	130.4260	0.000	1	130.4260	0.000	1	129.4426	2.206	7	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:S-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S){1|O<2>,2|C<3>,2|H<1>}	128.1490	0.000	1	128.1490	0.000	1	128.4900	0.103	3	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	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:S-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(S)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(S){1|O<2>,2|C<3>,2|H<1>}	128.6605	0.177	2	128.6605	0.032	2	128.4900	0.103	3	131.6436	4.633	35	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	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[5,5,6]-4:N-2:	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(NO)	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](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(NO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	130.6380	0.000	1	130.6380	0.000	1	130.6380	0.000	1	130.6380	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-2:	C[5,6a]-3:C[5]-4:C-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	128.8010	0.000	1	128.8010	0.000	1	128.8010	0.000	1	126.7560	1.795	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ir)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ir){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.2495	0.183	2	127.2495	0.034	2	126.4152	1.179	6	126.7560	1.795	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Cr)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Cr){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	126.5270	0.000	1	126.5270	0.000	1	126.4152	1.179	6	126.7560	1.795	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ir)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ir){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.3120	0.000	1	127.3120	0.000	1	126.4152	1.179	6	126.7560	1.795	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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:N-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ni)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ni){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.0765	0.258	2	125.0765	0.067	2	126.4152	1.179	6	126.7560	1.795	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|H<1>,3|C<3>}	131.3800	0.000	1	131.3800	0.000	1	131.3800	0.000	1	129.5220	2.176	9	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|N<3>,4|C<3>}	126.7440	0.000	1	126.7440	0.000	1	128.4237	2.185	3	129.5220	2.176	9	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	129.2635	0.373	2	129.2635	0.139	2	128.4237	2.185	3	129.5220	2.176	9	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<4>,3|C<3>}	129.4140	0.000	1	129.4140	0.000	1	129.4140	0.000	1	129.5220	2.176	9	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	129.2210	0.000	1	129.2210	0.000	1	129.2210	0.000	1	129.5220	2.176	9	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	128.3620	0.000	1	128.3620	0.000	1	130.1373	2.364	3	129.5220	2.176	9	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	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:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	131.0250	0.000	2	131.0250	0.000	2	130.1373	2.364	3	129.5220	2.176	9	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	133.0920	0.683	4	133.0920	0.467	4	133.0920	0.467	4	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	132.4460	0.000	1	132.4460	0.000	1	132.4460	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	128.6790	0.000	1	128.6790	0.000	1	130.7999	1.631	11	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	128.7910	0.000	1	128.7910	0.000	1	130.7999	1.631	11	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	130.6684	0.327	5	130.7193	0.101	6	130.7999	1.631	11	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	130.9740	0.000	1	130.7193	0.101	6	130.7999	1.631	11	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	132.3360	0.000	1	132.3360	0.000	1	130.7999	1.631	11	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	132.3385	0.373	2	132.3385	0.139	2	130.7999	1.631	11	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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[5]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]Si)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]Si)(H){1|B<3>,2|C<3>}	125.8690	0.000	1	125.8690	0.000	1	125.8690	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	130.5900	0.806	2	130.5900	0.650	2	130.5900	0.650	2	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	131.5590	0.000	1	131.5590	0.000	1	131.5590	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){6|C<3>}	129.7350	0.000	1	129.7350	0.000	1	129.7350	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	128.9907	0.448	3	128.9907	0.201	3	130.6454	2.721	7	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	131.5430	0.000	1	131.5430	0.000	1	130.6454	2.721	7	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	132.4230	0.000	1	132.4230	0.000	1	130.6454	2.721	7	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	132.5400	0.000	1	132.5400	0.000	1	130.6454	2.721	7	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	131.0400	0.000	1	131.0400	0.000	1	130.6454	2.721	7	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,3|C<3>}	131.7640	0.000	1	131.7640	0.000	1	131.7640	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|H<1>,3|N<3>}	129.0760	0.000	1	129.0760	0.000	1	129.0760	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:H-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|N<3>,3|C<3>}	137.3020	0.000	1	137.3020	0.000	1	137.3020	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|N<3>,4|C<3>}	128.3665	0.493	4	128.3665	0.243	4	130.5337	4.696	19	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	130.0236	0.652	5	130.0236	0.425	5	130.5337	4.696	19	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	129.3860	0.292	4	129.3860	0.085	4	130.5337	4.696	19	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	129.7000	0.000	1	129.7000	0.000	1	130.5337	4.696	19	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	133.9550	0.000	1	133.9550	0.000	1	130.5337	4.696	19	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	134.2640	0.000	1	134.2640	0.000	1	130.5337	4.696	19	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	133.6977	0.255	3	133.6977	0.065	3	130.5337	4.696	19	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	134.1580	0.091	2	134.1580	0.008	2	134.1580	0.008	2	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	131.5970	0.000	1	131.5970	0.000	1	131.5970	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:N-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|N<3>}	133.7290	0.000	1	133.7290	0.000	1	133.7290	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	130.6508	0.322	4	131.0062	0.709	5	131.0062	0.709	5	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	132.4280	0.000	1	131.0062	0.709	5	131.0062	0.709	5	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	129.0360	0.086	2	128.5435	0.326	4	129.2322	2.616	5	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){6|C<3>}	128.0510	0.000	2	128.5435	0.326	4	129.2322	2.616	5	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	131.9870	0.000	1	131.9870	0.000	1	129.2322	2.616	5	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	128.9155	0.721	6	128.9155	0.520	6	128.9155	0.520	6	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	130.5780	0.187	4	130.5780	0.035	4	130.5780	0.035	4	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	127.8332	0.583	4	127.8332	0.340	4	127.8332	0.340	4	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	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[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,2|C<3>,2|H<1>}	132.0710	0.000	1	132.0710	0.000	1	132.0710	0.000	1	130.6177	4.279	79	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CN)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CN){3|C<3>}	134.1030	0.000	1	134.1030	0.000	1	134.1030	0.000	1	134.1030	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){10|C<3>}	132.7530	0.255	4	132.7530	0.065	4	132.7530	0.065	4	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	132.3995	0.337	2	132.2363	0.137	3	132.4675	1.452	8	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	131.9100	0.000	1	132.2363	0.137	3	132.4675	1.452	8	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	132.0990	0.031	2	131.9183	0.056	4	132.4675	1.452	8	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	131.7375	0.193	2	131.9183	0.056	4	132.4675	1.452	8	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-3:	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](C[5,6a]C[5,6a]C[6a])2(CHH)	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](C[5,6a]C[5,6a]C[6a])2(CHH){1|H<1>,1|O<2>,4|C<3>}	135.3580	0.000	1	135.3580	0.000	1	132.4675	1.452	8	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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]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](C[5,6a]C[5,6a]C[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]){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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	131.2300	0.024	2	131.2300	0.001	2	131.2300	0.001	2	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5,6a]-3:C[5a]-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](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a])	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](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	130.4370	0.000	1	130.4370	0.000	1	130.4370	0.000	1	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[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]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](C[5,6a]C[5,6a]C[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]){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](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.9560	0.000	1	130.9560	0.000	1	130.9560	0.000	1	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[3]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[3]2){3|C<3>}	135.8490	0.000	1	135.8490	0.000	1	135.8490	0.000	1	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	133.2530	0.126	2	133.2530	0.016	2	133.2530	0.016	2	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	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:C-3:	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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,1|N<2>,4|C<3>}	134.3030	0.000	1	134.3030	0.000	1	134.3030	0.000	1	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H)	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](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H){2|H<1>,6|C<3>}	131.5600	0.000	1	131.5600	0.000	1	131.5600	0.000	1	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	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]-3:	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]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]){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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	132.7043	0.260	4	132.7043	0.068	4	132.7043	0.068	4	132.5456	1.554	25	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-4:	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|N<3>,2|C<3>}	140.1760	0.000	1	140.1760	0.000	1	140.1760	0.000	1	140.1760	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5,6]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|H<1>,5|C<3>}	129.0170	0.000	1	129.0170	0.000	1	129.0170	0.000	1	129.2646	1.368	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	129.6490	0.000	1	129.6490	0.000	1	129.6490	0.000	1	129.2646	1.368	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	130.7670	0.000	1	130.0620	0.994	2	130.0620	0.994	2	129.2646	1.368	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	129.3570	0.000	1	130.0620	0.994	2	130.0620	0.994	2	129.2646	1.368	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	127.5330	0.000	1	127.5330	0.000	1	127.5330	0.000	1	129.2646	1.368	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O-3:	C[5,6a]-3:C[5]-4:N-3:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ni)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6a]Ni){1|C<4>,1|H<1>,1|O<3>,2|C<3>}	128.1783	0.727	3	128.1783	0.529	3	128.1783	0.529	3	128.1783	0.529	3	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O)	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](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|C<4>,3|C<3>}	136.2090	0.000	1	136.2090	0.000	1	136.2090	0.000	1	130.3827	6.928	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[4,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	129.6380	0.000	1	129.6380	0.000	1	129.6380	0.000	1	130.3827	6.928	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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>,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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	130.0910	0.000	1	130.0910	0.000	1	129.2173	0.660	3	130.3827	6.928	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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|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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	128.4850	0.000	1	128.7805	0.175	2	129.2173	0.660	3	130.3827	6.928	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	129.0760	0.000	1	128.7805	0.175	2	129.2173	0.660	3	130.3827	6.928	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:C-4:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	130.0460	0.000	1	130.0460	0.000	1	130.0460	0.000	1	130.3827	6.928	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:O[5]-2:O-1:	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	129.1340	0.000	1	129.1340	0.000	1	129.1340	0.000	1	130.3827	6.928	7	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O){1|C<4>,5|C<3>}	134.4390	0.083	2	134.4390	0.007	2	135.4240	0.853	6	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O){1|C<4>,3|C<3>}	135.9165	0.670	4	135.9165	0.449	4	135.4240	0.853	6	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){2|C<4>,4|C<3>}	128.1078	0.752	6	128.1078	0.566	6	128.1078	0.566	6	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	128.6720	0.000	1	128.1230	0.603	2	128.1230	0.603	2	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	127.5740	0.000	1	128.1230	0.603	2	128.1230	0.603	2	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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[5]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	129.3100	0.000	1	129.3100	0.000	1	129.3100	0.000	1	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	127.8295	0.144	2	127.8295	0.021	2	127.8295	0.021	2	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	129.9550	0.000	1	129.9550	0.000	1	130.3360	0.147	4	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	130.6655	0.009	2	130.6655	0.000	2	130.3360	0.147	4	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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]-3:H-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	130.0580	0.000	1	130.0580	0.000	1	130.3360	0.147	4	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	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]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|C<4>,1|S<2>,3|C<3>}	127.4110	0.100	2	127.4110	0.010	2	127.4110	0.010	2	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	129.5670	0.078	3	129.5670	0.006	3	129.6486	0.377	5	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	128.9210	0.000	1	128.9210	0.000	1	129.6486	0.377	5	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	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](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	130.6210	0.000	1	130.6210	0.000	1	129.6486	0.377	5	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[5]-3:O-1:	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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(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](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	128.4890	0.000	1	128.4890	0.000	1	128.4890	0.000	1	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	N[5,5a]-3:C[5,6a]-3:S-1:	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S)	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S){1|C<4>,1|N<2>,4|C<3>}	132.4040	0.000	1	132.4040	0.000	1	132.4040	0.000	1	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|C<4>,2|C<3>}	134.3420	0.491	2	134.3420	0.241	2	134.3420	0.241	2	130.5122	8.926	32	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]){1|C<4>,2|C<3>}	133.3970	0.000	1	133.3970	0.000	1	131.4280	2.909	3	131.4280	2.909	3	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:N-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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|C<4>}	130.4435	0.049	2	130.4435	0.002	2	131.4280	2.909	3	131.4280	2.909	3	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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]-3:C[5]-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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	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](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	135.8360	0.117	2	135.8360	0.014	2	135.8360	0.014	2	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2)	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](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){2|C<4>,8|C<3>}	133.1595	0.221	4	133.1595	0.049	4	133.1595	0.049	4	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	132.1880	0.000	1	132.1880	0.000	1	131.6405	0.600	2	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(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]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](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	131.0930	0.000	1	131.0930	0.000	1	131.6405	0.600	2	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(CC[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](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	130.8625	0.218	2	130.8625	0.048	2	130.8625	0.048	2	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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-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](C[5,6a]C[5,6a]C[6a])2(CCC)	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](C[5,6a]C[5,6a]C[6a])2(CCC){1|C<4>,1|H<1>,4|C<3>}	129.5470	0.000	1	129.5470	0.000	1	129.5470	0.000	1	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN){2|C<3>,2|C<4>}	131.2497	0.113	3	131.2497	0.013	3	131.0546	0.092	5	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N){2|C<3>,2|C<4>}	130.7620	0.243	2	130.7620	0.059	2	131.0546	0.092	5	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	130.4225	0.193	2	130.4225	0.037	2	130.4225	0.037	2	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2){1|C<4>,2|C<3>,2|H<1>}	132.5490	0.000	1	132.5490	0.000	1	132.5490	0.000	1	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5]){1|B<3>,1|C<4>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3){1|B<3>,6|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	132.0230	0.000	1	132.0230	0.000	1	132.0230	0.000	1	131.9776	2.875	20	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-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]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,2|C<3>}	131.4110	0.395	2	131.8072	0.372	5	131.9514	0.312	7	132.1066	1.112	17	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-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]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	132.0713	0.637	3	131.8072	0.372	5	131.9514	0.312	7	132.1066	1.112	17	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:C-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	132.3120	0.126	2	132.3120	0.016	2	131.9514	0.312	7	132.1066	1.112	17	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	132.1317	1.372	6	132.1317	1.882	6	131.9766	1.313	9	132.1066	1.112	17	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	131.9830	0.246	2	131.9830	0.061	2	131.9766	1.313	9	132.1066	1.112	17	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	131.0330	0.000	1	131.0330	0.000	1	131.9766	1.313	9	132.1066	1.112	17	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	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[5]-3:P-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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C){1|C<4>,1|H<1>,2|C<3>}	134.3630	0.000	1	134.3630	0.000	1	134.3630	0.000	1	132.1066	1.112	17	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	132.4650	0.000	1	132.4650	0.000	1	132.2675	0.024	4	130.6406	3.136	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|H<1>,2|C<4>,5|C<3>}	132.2250	0.000	1	132.2250	0.000	1	132.2675	0.024	4	130.6406	3.136	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){1|C<4>,3|H<1>,5|C<3>}	132.2890	0.000	1	132.2890	0.000	1	132.2675	0.024	4	130.6406	3.136	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(O){1|H<1>,2|C<4>,4|C<3>}	132.0910	0.000	1	132.0910	0.000	1	132.2675	0.024	4	130.6406	3.136	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	128.8040	0.000	1	128.8040	0.000	1	128.8040	0.000	1	130.6406	3.136	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	128.9700	0.000	1	128.9700	0.000	1	129.0837	0.325	3	130.6406	3.136	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	129.1405	0.794	2	129.1405	0.631	2	129.0837	0.325	3	130.6406	3.136	8	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:O-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)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(O)	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](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	130.4970	0.550	3	130.4970	0.303	3	130.4970	0.303	3	129.9518	0.729	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:1:	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:O-1:	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](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|C<3>,5|C<4>}	129.1340	0.283	2	129.1340	0.080	2	129.1340	0.080	2	129.9518	0.729	5	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:4:2:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	131.2680	0.000	1	131.2680	0.000	1	131.2680	0.000	1	131.2680	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:4:2:	3:4:1:	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[5]-4:O-1:	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(O){1|N<2>,1|O<1>,2|C<3>,3|C<4>}	131.5135	0.504	2	131.5135	0.254	2	131.5135	0.254	2	131.5135	0.254	2	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	0:SP2_SP2_SP2	C[5,6a]	C[6a]	C[5]	3:3:3:	3:4:3:	3:3:1:	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:O-1:	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](C[5,6a]C[5,6a]C[6a])2(O)	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](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,4|C<3>}	132.5320	0.000	1	132.5320	0.000	1	132.5320	0.000	1	132.5320	0.000	1	130.7074	5.914	7291	130.8241	6.339	7980
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	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[5,6,6]-3:C[5,6,6]-4:	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[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	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[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	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[5,6,6]-3:C[5,6,6]-4:	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[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]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[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[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6]	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[5,6]-4:C[6,6]-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[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]Mo)(C[6,6]C[6]2)	C[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[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]Mo)(C[6,6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	123.2000	0.000	1	123.2000	0.000	1	124.6980	0.707	5	124.6980	0.707	5	124.6980	0.707	5	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6,6]	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[5,6]-4:C[6,6]-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])	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[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]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]){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[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	125.0725	0.086	4	125.0725	0.007	4	124.6980	0.707	5	124.6980	0.707	5	124.6980	0.707	5	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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:N[5]-3:C[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]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]){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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	125.6683	0.554	3	125.6683	0.307	3	125.6683	0.307	3	125.6683	0.307	3	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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:N[5]-3:C[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]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]){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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	124.9003	0.142	6	124.9003	0.020	6	124.9003	0.020	6	124.9003	0.020	6	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	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]-2:	C[5,6,6a]-3:C[5]-4:C[6]-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]P)(C[6]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]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]){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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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:C[6]-3:	C[5,6,6a]-3:C[5]-3:C[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]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|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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	123.5270	0.000	1	124.0138	0.089	8	124.0138	0.089	8	124.1976	0.382	9	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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:C[6]-3:	C[5,6,6a]-3:C[5]-3:C[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	124.1707	0.273	4	124.0138	0.089	8	124.0138	0.089	8	124.1976	0.382	9	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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:C[6]-3:	C[5,6,6a]-3:C[5]-3:C[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	123.9667	0.170	3	124.0138	0.089	8	124.0138	0.089	8	124.1976	0.382	9	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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[5]-3:C[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]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]){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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,2|N<3>,3|C<3>}	125.6680	0.000	1	125.6680	0.000	1	125.6680	0.000	1	124.1976	0.382	9	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	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]-3:C[6]-4:	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	125.1720	0.000	1	125.1720	0.000	1	125.1720	0.000	1	125.1720	0.000	1	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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]-4:C[6]-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]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]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]){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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H){1|H<1>,4|C<3>}	122.2530	0.000	1	122.2530	0.000	1	124.5585	10.631	2	124.5585	10.631	2	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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]-4:C[6]-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])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O)	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O){1|O<1>,3|C<3>}	126.8640	0.000	1	126.8640	0.000	1	124.5585	10.631	2	124.5585	10.631	2	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	124.3110	0.000	1	124.3110	0.000	1	124.3110	0.000	1	123.8192	0.668	4	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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[5]-3:C[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]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]){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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	123.6553	0.917	3	123.6553	0.841	3	123.6553	0.841	3	123.8192	0.668	4	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	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]-3:C[6]-4:	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	126.3000	0.000	1	126.3000	0.000	1	126.0860	0.213	5	126.0860	0.213	5	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	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]-3:C[6]-4:	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO){2|C<4>,3|H<1>,4|C<3>}	126.0325	0.515	4	126.0325	0.265	4	126.0860	0.213	5	126.0860	0.213	5	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	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[6,6a]-3:N[5]-2:	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5])	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5]){1|P<3>,3|C<4>,4|C<3>}	123.6950	0.000	1	123.6950	0.000	1	123.6950	0.000	1	123.6950	0.000	1	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	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[6]-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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H){2|C<4>,2|H<1>,4|C<3>}	125.7366	0.175	5	125.7366	0.031	5	125.7366	0.031	5	125.7366	0.031	5	124.9471	1.379	38	124.8300	1.413	45
727	643	818	6:SP2_SP2_SP2	C[5,6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	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[6]-4:C[5]-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])	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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]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]){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[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	127.8620	0.000	1	127.8620	0.000	1	127.8620	0.000	1	127.8620	0.000	1	124.9471	1.379	38	124.8300	1.413	45