727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H)	C[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]S[5a]Se[5])(C[5,6a]C[5,6a]2)	C[5](C[5,5a]C[5,5a]2)(C[5]Se[5]Si)(H)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]S[5a]Se[5])(C[5,6a]C[5,6a]2){1|Se<2>,1|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]2)(C[5]Se[5]Si)(H){1|S<2>,2|C<3>}	136.2505	0.506	2	136.2505	0.256	2	136.2505	0.256	2	136.2505	0.256	2	136.2505	0.256	2	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,5a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	N[5a,5a]-3:C[5,5a]-3:O[5a]-2:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a])	C[5](C[5,5a]C[5a,5a]C[5,5a])(O[5]C[5])(O)	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(O[5]C[5])(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	144.9170	0.000	1	144.9170	0.000	1	144.9170	0.000	1	144.9170	0.000	1	144.6713	0.405	3	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	N[5a,5a]-3:C[5,5a]-3:O[5a]-2:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a])	C[5](C[5,5a]C[5a,5a]C[5,5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a]){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	143.9490	0.000	1	143.9490	0.000	1	143.9490	0.000	1	143.9490	0.000	1	144.6713	0.405	3	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5a,5a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|N<3>,6|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(N[5a]C[5a,6a]C){6|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	145.1480	0.000	1	145.1480	0.000	1	145.1480	0.000	1	145.1480	0.000	1	144.6713	0.405	3	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a,6]-3:C[5]-3:	N[5a,6]-3:C[5,5a]-3:C[6]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H)	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,5|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>}	141.6800	0.000	1	141.6800	0.000	1	141.6800	0.000	1	141.7363	0.098	3	142.3680	1.661	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	141.4560	0.000	1	141.7645	0.190	2	141.7645	0.190	2	141.7363	0.098	3	142.3680	1.661	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|O<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	142.0730	0.000	1	141.7645	0.190	2	141.7645	0.190	2	141.7363	0.098	3	142.3680	1.661	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[6,6a]-3:C[5,5a]-3:C[5a,6]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])	C[5](C[5,5a]C[5a,6]N[5,5a])(C[5]C[5]HH)(O)	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5a]C[5a,6]N[5,5a])(C[5]C[5]HH)(O){1|O<1>,3|C<3>}	144.2630	0.000	1	144.2630	0.000	1	144.2630	0.000	1	144.2630	0.000	1	142.3680	1.661	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	144.7260	0.000	1	144.7260	0.000	1	144.7260	0.000	1	144.7260	0.000	1	144.3760	0.245	2	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5,6]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[6]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6])	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6]){1|N<2>,2|C<3>,3|H<1>,4|C<4>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	144.0260	0.000	1	144.0260	0.000	1	144.0260	0.000	1	144.0260	0.000	1	144.3760	0.245	2	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|C<4>}	141.6470	0.000	1	141.6470	0.000	1	141.6470	0.000	1	141.6470	0.000	1	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	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>}	144.4310	0.000	1	144.4310	0.000	1	144.4310	0.000	1	142.8238	4.411	10	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	143.1745	0.139	2	143.1745	0.019	2	143.5740	0.489	3	142.8238	4.411	10	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|O<2>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	C[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>}	144.3730	0.000	1	144.3730	0.000	1	143.5740	0.489	3	142.8238	4.411	10	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,2|C<3>,2|C<4>}	143.1413	0.344	4	143.2060	0.110	5	143.2060	0.110	5	142.8238	4.411	10	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,3|C<3>}	143.4650	0.000	1	143.2060	0.110	5	143.2060	0.110	5	142.8238	4.411	10	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O){1|S<2>,3|C<3>}	137.0550	0.000	1	137.0550	0.000	1	137.0550	0.000	1	142.8238	4.411	10	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:O[5]-2:	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5])	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5]){1|H<1>,6|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	152.3720	0.000	1	152.3720	0.000	1	152.3720	0.000	1	152.3720	0.000	1	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	143.2430	0.000	1	143.2430	0.000	1	143.2430	0.000	1	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a]){1|H<1>,1|S<2>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	141.2310	0.000	1	141.2310	0.000	1	141.2310	0.000	1	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|B<3>,1|F<1>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<3>,2|F<1>,4|C<3>}	C[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>}	143.0490	0.000	1	143.0490	0.000	1	140.5347	3.342	6	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	141.6010	0.940	2	141.6010	0.884	2	140.5347	3.342	6	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[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>}	138.9130	0.000	2	138.9857	0.016	3	140.5347	3.342	6	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[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>}	139.1310	0.000	1	138.9857	0.016	3	140.5347	3.342	6	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|C<4>}	141.9150	0.000	1	141.9150	0.000	1	140.5700	3.618	2	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH){1|S<2>,3|C<3>}	139.2250	0.000	1	139.2250	0.000	1	140.5700	3.618	2	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	144.7630	0.000	1	144.7630	0.000	1	143.9810	1.223	2	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	143.1990	0.000	1	143.1990	0.000	1	143.9810	1.223	2	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	146.6270	0.000	1	146.6270	0.000	1	145.8290	1.274	2	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,6|C<3>}	145.0310	0.000	1	145.0310	0.000	1	145.8290	1.274	2	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[6a,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	145.1590	0.000	1	145.1590	0.000	1	145.1590	0.000	1	142.2401	6.301	15	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	C[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>}	141.9860	0.000	1	141.9005	0.015	2	141.9005	0.015	2	141.9590	0.018	3	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	C[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>}	141.8150	0.000	1	141.9005	0.015	2	141.9005	0.015	2	141.9590	0.018	3	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	142.0760	0.000	1	142.0760	0.000	1	142.0760	0.000	1	141.9590	0.018	3	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O){2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	142.3570	0.000	1	142.3570	0.000	1	142.3570	0.000	1	142.2032	1.210	6	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	142.5220	0.000	1	142.5220	0.000	1	142.5220	0.000	1	142.2032	1.210	6	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|S<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	142.3565	0.080	2	142.3565	0.006	2	142.7317	0.425	3	142.2032	1.210	6	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O){1|N<3>,2|C<3>,2|C<4>}	143.4820	0.000	1	143.4820	0.000	1	142.7317	0.425	3	142.2032	1.210	6	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<2>,2|C<3>,5|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	140.1450	0.000	1	140.1450	0.000	1	140.1450	0.000	1	142.2032	1.210	6	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS){1|N<3>,2|H<1>,4|C<3>}	145.6590	0.000	1	145.6590	0.000	1	145.6590	0.000	1	145.6590	0.000	1	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[6a]-3:	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a])	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	148.2040	0.000	1	148.2040	0.000	1	148.2040	0.000	1	148.2040	0.000	1	142.8636	7.382	38	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,5a]-3:C[5,6]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5,6]N[5,6]C[6])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5,5a]C[5,6])(C[5a]C[5,5a]H)(H)	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5,6]N[5,6]C[6])(C[5a]C[5a]H){1|Cl<1>,1|Ir<5>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5,5a]N[5,5,5a]C[5,6])(C[5a]C[5,5a]H)(H){1|In<5>,1|N<3>,2|C<3>}	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Ir<5>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	136.6575	0.711	4	136.6575	0.506	4	136.6575	0.506	4	136.6575	0.506	4	136.6575	0.506	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O){1|H<1>,1|S<2>,3|C<3>}	137.8345	0.238	2	137.8345	0.057	2	136.6502	1.930	4	136.4026	1.286	7	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H){1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	135.4660	0.349	2	135.4660	0.122	2	136.6502	1.930	4	136.4026	1.286	7	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:Br-1:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(Br)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>}	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(Br){1|Br<1>,1|C<3>,1|N<3>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	135.7370	0.826	2	135.7370	0.682	2	135.7370	0.682	2	136.4026	1.286	7	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:H-1:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	136.7430	0.000	1	136.7430	0.000	1	136.7430	0.000	1	136.4026	1.286	7	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:S[5a]-2:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H){3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(H){4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	135.3415	0.931	2	135.3415	0.867	2	135.3415	0.867	2	135.3415	0.867	2	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:O[5a]-2:C-4:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(CH3)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(CH3){1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	143.8110	0.000	1	143.8110	0.000	1	143.8110	0.000	1	143.8110	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:Si-4:	C[5,5a]-3:C[5]-3:C-2:	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C)	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(SiC3)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC)	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C){1|Si<4>,1|S<2>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(SiC3){2|Si<4>,1|C<2>,1|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC){1|Si<4>,1|C<3>,1|S<2>,2|C<4>}	130.7200	0.000	1	130.7200	0.000	1	130.7200	0.000	1	130.7200	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a]-3:C[5]-4:C-3:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C)	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(CCHH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]2)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C){4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,2|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]2){1|C<4>,2|H<1>,2|N<2>}	148.2630	0.000	1	148.2630	0.000	1	148.2630	0.000	1	148.2630	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O){1|C<4>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	143.9550	0.000	1	143.9550	0.000	1	143.9550	0.000	1	143.9550	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){1|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	137.1180	0.000	1	137.1180	0.000	1	137.5833	0.931	11	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]Br)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]Br)(H){1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	137.6894	1.126	8	137.6894	1.268	8	137.5833	0.931	11	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	137.3915	0.231	2	137.3915	0.053	2	137.5833	0.931	11	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H){4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H){1|O<1>,5|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>}	143.3790	0.000	1	143.3790	0.000	1	143.3790	0.000	1	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){4|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	142.2325	0.312	2	142.2325	0.097	2	138.8585	1.138	28	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|S<2>,2|C<3>}	138.5990	0.494	26	138.5990	0.244	26	138.8585	1.138	28	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	138.1190	0.000	1	138.1190	0.000	1	138.1190	0.000	1	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	N[5,5]-3:C[5,5a]-3:H-1:	C[5,5a](N[5,5a]Si[3x5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,5]C[5,6a]Si[3x5])(C[5,5a]N[5,5a]C[5a])(H)	C[5,5a](N[5,5a]Si[3x5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|Si<6>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,6a]Si[3x5])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,2|N<3>,6|C<3>}	135.6976	0.434	8	135.6976	0.188	8	136.7339	1.710	14	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	N[5,5]-3:C[5,5a]-3:H-1:	C[5,5a](N[5,5a]Si[4,5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H)	C[5,5a](N[5,5a]Si[4,5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|Si<5>,1|N<3>,2|H<1>}	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	138.0040	0.480	4	138.0040	0.231	4	136.7339	1.710	14	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	N[5,5]-3:C[5,5a]-3:H-1:	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,5a]N[5,5a]C[5a])(H)	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|Si<5>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	138.3385	0.155	2	138.3385	0.024	2	136.7339	1.710	14	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	144.7770	0.000	1	144.7770	0.000	1	145.0002	0.049	4	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|O<1>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	145.2420	0.000	1	145.2420	0.000	1	145.0002	0.049	4	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|S<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	144.9910	0.195	2	144.9910	0.038	2	145.0002	0.049	4	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	142.9090	0.000	1	142.9090	0.000	1	142.9510	0.004	2	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	142.9930	0.000	1	142.9930	0.000	1	142.9510	0.004	2	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	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>}	140.9860	2.148	2	141.4860	3.057	3	141.4860	3.057	3	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|O<1>,1|O<2>,4|C<3>}	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>}	142.4860	0.000	1	141.4860	3.057	3	141.4860	3.057	3	138.8685	5.963	64	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|C<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CC){2|C<3>,2|H<1>,2|S<2>}	137.5475	1.467	2	137.5475	2.153	2	137.5475	2.153	2	138.0423	1.811	3	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]N)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]N)(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){1|N<2>,2|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>}	139.0320	0.000	1	139.0320	0.000	1	139.0320	0.000	1	138.0423	1.811	3	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H){1|S<2>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	137.9615	1.809	2	137.9615	3.274	2	138.7703	1.600	20	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	138.5212	0.212	6	138.5212	0.045	6	138.7703	1.600	20	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	139.2928	0.243	4	139.2928	0.059	4	138.7703	1.600	20	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCH)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCH){2|C<3>,2|H<1>,2|S<2>}	138.4090	0.979	4	138.4090	0.959	4	138.7703	1.600	20	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H){2|C<3>,2|H<1>,2|S<2>}	138.6655	0.763	2	138.6655	0.582	2	138.7703	1.600	20	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]S)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,2|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]S)(H){3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	140.1090	4.046	2	140.1090	16.371	2	138.7703	1.600	20	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6,6]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2){2|C<3>,2|S<2>,4|C<4>,4|H<1>}	140.3530	0.000	1	140.3530	0.000	1	140.3530	0.000	1	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(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[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C)(H){3|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>}	138.7520	0.000	1	138.7520	0.000	1	138.9220	0.022	3	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(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[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){3|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>}	139.0070	0.000	2	139.0070	0.000	2	138.9220	0.022	3	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	142.0693	1.082	4	142.0693	1.171	4	142.2758	1.092	5	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	143.1020	0.000	1	143.1020	0.000	1	142.2758	1.092	5	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	145.0420	0.000	1	142.1784	2.918	7	142.1751	2.501	8	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	142.1772	0.534	5	142.1784	2.918	7	142.1751	2.501	8	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	139.3210	0.000	1	142.1784	2.918	7	142.1751	2.501	8	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	142.1520	0.000	1	142.1520	0.000	1	142.1751	2.501	8	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(H){5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	138.5070	0.000	1	138.5070	0.000	1	139.1240	0.761	2	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C[5])(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){1|C<4>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]C[5])(H){1|Fe<10>,2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	139.7410	0.000	1	139.7410	0.000	1	139.1240	0.761	2	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5]){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	140.6380	0.000	1	140.6380	0.000	1	140.6380	0.000	1	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|B<4>,2|O<2>,3|H<1>,5|C<3>}	144.0240	0.171	2	144.0617	0.019	3	144.0617	0.019	3	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	144.1370	0.000	1	144.0617	0.019	3	144.0617	0.019	3	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5]-3:N-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2){1|H<1>,1|O<1>,4|C<3>}	143.2700	0.000	1	143.2700	0.000	1	143.2700	0.000	1	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:N[5]-3:C-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(CHH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C){1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	143.6600	0.000	1	143.6600	0.000	1	143.6600	0.000	1	140.4290	4.954	45	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,2|C<4>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	137.5500	0.000	1	137.5500	0.000	1	137.5500	0.000	1	141.2517	10.289	3	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5,6]-3:C-4:	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH)	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH){2|C<3>,2|C<4>,4|H<1>}	143.2140	0.000	1	143.2140	0.000	1	143.2140	0.000	1	141.2517	10.289	3	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	142.9910	0.000	1	142.9910	0.000	1	142.9910	0.000	1	141.2517	10.289	3	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,2|C<3>}	144.3630	0.000	1	144.3630	0.000	1	141.8183	26.681	4	142.8357	6.097	16	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|H<1>,1|N<3>,2|C<3>}	144.4180	0.274	2	144.4180	0.075	2	141.8183	26.681	4	142.8357	6.097	16	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|F<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	134.0740	0.000	1	134.0740	0.000	1	141.8183	26.681	4	142.8357	6.097	16	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6]-4:O-1:	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H){2|C<4>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	143.4630	0.000	1	143.4630	0.000	1	143.4630	0.000	1	142.8357	6.097	16	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<4>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	143.5693	0.396	7	143.5693	0.157	7	143.2413	0.539	10	142.8357	6.097	16	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	141.5200	0.000	1	142.4760	0.700	3	143.2413	0.539	10	142.8357	6.097	16	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	142.9540	0.173	2	142.4760	0.700	3	143.2413	0.539	10	142.8357	6.097	16	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Br-1:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(Br)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(Br){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(O){1|Br<1>,1|H<1>,3|C<3>}	142.2220	0.000	1	142.2220	0.000	1	142.2220	0.000	1	142.8357	6.097	16	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	4:3:1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5]-4:C[5,5a]-3:O-1:	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O)	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O){1|N<3>,2|H<1>,4|C<3>}	142.5987	0.857	3	142.5987	0.735	3	142.5987	0.735	3	142.5987	0.735	3	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]N[5a])	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5,6])(O)	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O){2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5,6])(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	141.4110	0.000	1	141.4110	0.000	1	138.5207	6.268	3	138.5207	6.268	3	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	137.0755	0.067	2	137.0755	0.005	2	138.5207	6.268	3	138.5207	6.268	3	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]S[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	138.9940	0.000	1	138.9940	0.000	1	138.9940	0.000	1	138.7502	10.333	5	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O){5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|O<1>,2|H<1>,5|C<3>}	C[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>}	136.4640	0.000	1	136.4640	0.000	1	136.4640	0.000	1	138.7502	10.333	5	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:S[5a]-2:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(S[5a]C[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	137.0635	1.012	2	137.0635	1.024	2	137.0635	1.024	2	138.7502	10.333	5	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:O-2:	C[5,5a]-3:C[5]-3:Cl-1:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(OH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl){1|Cl<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(OH){1|Cl<1>,1|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl){1|O<1>,1|O<2>,2|C<3>}	144.1660	0.000	1	144.1660	0.000	1	144.1660	0.000	1	138.7502	10.333	5	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O){1|O<1>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|O<1>,1|S<2>,2|C<3>}	135.2620	0.636	7	135.2620	0.404	7	135.2620	0.404	7	135.2620	0.404	7	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[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>}	143.4885	0.354	2	143.4885	0.126	2	143.9966	0.337	5	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[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>}	144.3353	0.426	3	144.3353	0.181	3	143.9966	0.337	5	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	142.3268	0.864	4	142.3268	0.746	4	142.3118	0.561	5	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	142.2520	0.000	1	142.2520	0.000	1	142.3118	0.561	5	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	141.7763	1.263	6	141.5871	1.581	7	141.7994	1.182	10	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	140.4520	0.000	1	141.5871	1.581	7	141.7994	1.182	10	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	142.5030	0.000	1	142.5030	0.000	1	141.7994	1.182	10	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	142.1905	0.185	2	142.1905	0.034	2	141.7994	1.182	10	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a,6]-3:C-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	142.7350	0.000	1	142.5645	0.058	2	142.5645	0.058	2	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a,6]-3:C-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|O<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	142.3940	0.000	1	142.5645	0.058	2	142.5645	0.058	2	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5]){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	141.6836	0.799	10	141.6836	0.639	10	141.6836	0.639	10	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]C)(H)	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H){5|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){1|N<2>,2|F<1>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]C)(H){1|N<3>,2|C<3>}	146.4680	0.000	1	146.4680	0.000	1	146.4680	0.000	1	142.3627	1.816	33	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C){1|C<2>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	142.6480	0.000	1	142.6480	0.000	1	142.6480	0.000	1	142.6480	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[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>}	141.9010	0.000	1	141.9010	0.000	1	141.9010	0.000	1	141.9010	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5,5a]-3:C[5]-4:C-3:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]N[5a]H)(NOO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C){5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]N[5a]H)(NOO){1|C<3>,2|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	146.9660	0.000	1	146.9660	0.000	1	146.9660	0.000	1	146.9660	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:2:1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:S[5]-2:S-1:	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C[5](C[5,5a]N[5,5a]C[5a])(S[5]P[5])(S)	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S){1|C<3>,1|S<1>,2|C<4>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|C<4>,1|P<4>,1|S<1>,1|S<2>}	C[5](C[5,5a]N[5,5a]C[5a])(S[5]P[5])(S){1|C<4>,1|S<1>,3|C<3>}	135.3630	0.000	1	135.3630	0.000	1	135.3630	0.000	1	135.3630	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:S[5]-2:S-2:	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(CH3)	C[5](C[5,5a]C[5,5a]C[5a])(S[5]S[5])(SW)	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S){1|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]H)(CH3){3|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(S[5]S[5])(SW){1|C<3>,1|C<4>,1|S<2>}	131.5850	0.000	1	131.5850	0.000	1	131.5850	0.000	1	131.5850	0.000	1	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C-4:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(CH3)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	142.0865	0.637	2	142.0865	0.406	2	142.6090	0.516	4	142.6090	0.516	4	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C-4:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	143.1315	0.223	2	143.1315	0.050	2	142.6090	0.516	4	142.6090	0.516	4	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:C[6a]-3:O[5]-2:	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|Si<6>,1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,4|C<3>}	139.7660	0.441	2	139.7660	0.195	2	139.7660	0.195	2	139.7660	0.195	2	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,2|C<3>}	143.2270	0.236	2	143.2270	0.056	2	144.5593	2.436	4	144.5593	2.436	4	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){1|Ni<4>,2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>}	145.8915	0.392	2	145.8915	0.154	2	144.5593	2.436	4	144.5593	2.436	4	140.1475	9.712	210	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2)	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2){2|Se<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2){2|Se<2>,1|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2){1|Se<2>,1|H<1>,4|C<3>}	130.2675	0.134	2	130.2675	0.018	2	130.2675	0.018	2	130.2675	0.018	2	130.2675	0.018	2	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	122.0165	0.633	2	122.0165	0.401	2	122.0165	0.401	2	122.0165	0.401	2	122.0165	0.401	2	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<3>}	133.8590	0.000	1	133.8590	0.000	1	133.8590	0.000	1	133.8590	0.000	1	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	133.4490	0.000	1	133.4490	0.000	1	133.4490	0.000	1	133.4490	0.000	1	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH)	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C){1|C<2>,2|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(S[5]C[5,6a]){1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH){1|C<3>,1|N<3>,1|S<2>}	133.1790	0.000	1	133.1790	0.000	1	133.1790	0.000	1	133.1790	0.000	1	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	125.7480	0.530	2	126.0430	0.238	4	126.5423	0.742	6	131.4421	3.594	73	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){6|C<3>}	126.3380	0.290	2	126.0430	0.238	4	126.5423	0.742	6	131.4421	3.594	73	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	127.5410	0.074	2	127.5410	0.005	2	126.5423	0.742	6	131.4421	3.594	73	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	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[5,6a]C[5,6a]2)(C[5]C[5,6a]O){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){1|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|H<1>,5|C<3>}	131.6530	0.000	1	131.6530	0.000	1	131.6530	0.000	1	131.4421	3.594	73	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]S[5]Si)(H)	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]S[5]Si)(H){2|O<1>,3|C<3>}	128.4685	0.177	2	128.4685	0.032	2	131.6238	11.912	8	131.4421	3.594	73	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]Se[5]Si)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(C[5]Se[5]Si)(H){3|C<3>}	128.3685	0.378	2	128.3685	0.143	2	131.6238	11.912	8	131.4421	3.594	73	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]C)(H){3|C<3>}	134.8290	0.581	4	134.8290	0.338	4	131.6238	11.912	8	131.4421	3.594	73	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	131.9202	0.497	58	131.9202	0.247	58	131.9202	0.247	58	131.4421	3.594	73	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]N)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]N){2|N<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[5]){1|N<2>,8|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a]){1|N<2>,4|C<3>}	130.7840	0.000	1	130.7840	0.000	1	130.7840	0.000	1	130.7840	0.000	1	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]C){7|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5]){1|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	124.4195	1.176	4	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){1|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	125.5980	0.000	1	125.5980	0.000	1	125.5980	0.000	1	124.4195	1.176	4	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	124.4365	0.818	2	124.4365	0.669	2	124.4365	0.669	2	124.4195	1.176	4	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O){3|H<1>,5|C<3>}	131.1550	0.000	1	131.1550	0.000	1	131.1550	0.000	1	131.1550	0.000	1	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<2>,1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O){1|C<2>,2|C<3>,2|C<4>}	130.1460	0.000	1	129.7377	0.126	3	129.7377	0.126	3	129.7377	0.126	3	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O){2|C<4>,3|C<3>}	129.5335	0.042	2	129.7377	0.126	3	129.7377	0.126	3	129.7377	0.126	3	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]OO){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	131.4640	0.000	1	132.3743	0.707	3	132.3743	0.707	3	131.6757	0.861	10	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]OO){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){2|C<4>,4|C<3>}	132.8295	0.412	2	132.3743	0.707	3	132.3743	0.707	3	131.6757	0.861	10	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)	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,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C){1|H<1>,1|O<1>,2|C<4>,6|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>}	131.3560	0.000	1	131.3560	0.000	1	131.3883	0.847	6	131.6757	0.861	10	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C)	C[5](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,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]C[6]C){1|H<1>,1|O<1>,2|C<4>,6|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>}	131.3948	1.029	5	131.3948	1.059	5	131.3883	0.847	6	131.6757	0.861	10	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	131.3040	0.000	1	131.3040	0.000	1	131.3040	0.000	1	131.6757	0.861	10	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	137.4760	0.000	1	137.4760	0.000	1	137.4760	0.000	1	137.4760	0.000	1	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O){2|C<3>,2|H<1>,4|C<4>}	129.6240	0.000	1	129.6240	0.000	1	129.6240	0.000	1	129.6240	0.000	1	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,6,6a]C[6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){8|C<3>}	C[5,6a](C[5,6,6]C[5,6,6a]C[6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){10|C<3>,1|O<1>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O){1|C<4>,5|C<3>}	129.9130	0.000	1	129.9130	0.000	1	129.9130	0.000	1	129.7287	1.598	4	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<2>,7|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){1|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	129.6673	1.541	3	129.6673	2.375	3	129.6673	2.375	3	129.7287	1.598	4	131.1620	5.386	101	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5a,6a,6a]-3:C[5a,6]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6])	C[5a,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6,6a]C[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5a,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	123.4160	0.000	1	123.4160	0.000	1	118.8770	41.205	2	118.8770	41.205	2	121.8993	48.006	3	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5a,6a,6a]-3:C[5a,6]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6])	C[5a,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6,6a]C[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5a,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	114.3380	0.000	1	114.3380	0.000	1	118.8770	41.205	2	118.8770	41.205	2	121.8993	48.006	3	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6]-3:C[5,6a,6a]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5a]C[5a,6a]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<1>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5a]C[5a,6a]O){7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	127.9440	0.000	1	127.9440	0.000	1	127.9440	0.000	1	127.9440	0.000	1	121.8993	48.006	3	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	133.0070	0.000	1	132.8905	0.027	2	132.8905	0.027	2	131.8508	0.951	5	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	132.7740	0.000	1	132.8905	0.027	2	132.8905	0.027	2	131.8508	0.951	5	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	131.4540	0.000	1	131.1577	0.086	3	131.1577	0.086	3	131.8508	0.951	5	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	131.0095	0.200	2	131.1577	0.086	3	131.1577	0.086	3	131.8508	0.951	5	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:O[5a]-2:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(O[5a]C[5a,6a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(O[5a]C[5a,6a]){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	132.7670	0.000	1	132.7670	0.000	1	132.7670	0.000	1	132.7670	0.000	1	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O){2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	130.5880	0.453	2	130.5880	0.205	2	130.5880	0.205	2	130.5880	0.205	2	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[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[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]O){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	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>}	128.7450	0.000	1	128.7450	0.000	1	128.7450	0.000	1	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	130.8550	0.854	2	131.0276	0.877	7	130.5009	1.185	11	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	129.9610	0.000	1	131.0276	0.877	7	130.5009	1.185	11	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	131.1610	0.000	1	131.0276	0.877	7	130.5009	1.185	11	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	131.4537	1.178	3	131.0276	0.877	7	130.5009	1.185	11	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	129.2365	0.308	2	129.2365	0.095	2	130.5009	1.185	11	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]Si)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|Si<4>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]Si)(O){1|O<1>,3|C<3>}	129.3360	0.000	1	129.3360	0.000	1	130.5009	1.185	11	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	130.5080	0.000	1	130.5080	0.000	1	130.5009	1.185	11	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]O){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O){1|C<4>,5|C<3>}	127.8660	0.000	1	127.8660	0.000	1	127.8660	0.000	1	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	132.7670	0.000	1	132.7670	0.000	1	132.7670	0.000	1	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]S)(O)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	129.4130	0.000	1	129.4130	0.000	1	129.4130	0.000	1	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H)	C[5a,6a](C[5a,6a]C[4,6a]S[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]S[5]Si)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<2>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[4,6a]S[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|S<4>,3|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]S[5]Si)(H){2|O<1>,3|C<3>}	128.5640	0.124	2	128.5640	0.015	2	128.2900	0.233	3	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	127.7420	0.000	1	127.7420	0.000	1	128.2900	0.233	3	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	135.3010	0.000	1	135.3010	0.000	1	135.3010	0.000	1	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	131.5290	0.560	2	131.5290	0.314	2	131.5290	0.314	2	130.3586	3.419	21	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]C[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]C[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,8|C<3>}	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>}	131.9880	0.000	1	131.9880	0.000	1	131.9880	0.000	1	131.9880	0.000	1	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2){1|C<4>,1|O<2>,4|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[5,6a]C[5,6a]C[5]){3|C<4>,5|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF){1|O<2>,2|F<1>,7|C<3>}	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	124.7487	0.940	3	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C[5]){1|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	124.4140	1.099	2	124.4140	1.207	2	124.4140	1.207	2	124.7487	0.940	3	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(O)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|N<2>,1|S<2>,2|C<3>,5|H<1>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	129.6580	0.000	1	129.6580	0.000	1	129.6580	0.000	1	129.6580	0.000	1	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[6a]P[5])	C[5a,6a](C[5,6a]C[5,6a,6a]C[5])(C[5a,6a]C[5a,6a]C[5a])(C[5a]S[5a]H)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[6a]P[5]){1|H<1>,1|S<1>,1|S<2>,7|C<3>}	C[5a,6a](C[5,6a]C[5,6a,6a]C[5])(C[5a,6a]C[5a,6a]C[5a])(C[5a]S[5a]H){1|H<1>,1|P<4>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	131.7650	0.000	1	131.7650	0.000	1	131.7650	0.000	1	131.7650	0.000	1	130.2395	5.598	35	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:4:	C[5a,6a]-3:C[5,6,6]-3:C[5a,6]-3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5,6,6]-4:C[5a,6]-3:C[5,6]-4:	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a])	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a])	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a]){1|H<1>,3|C<3>,6|C<4>}	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6,6,6a]S[5a]){1|H<1>,2|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H){1|Cl<1>,1|S<2>,2|C<4>,3|C<3>,7|H<1>}	133.6470	0.000	1	133.6470	0.000	1	133.6470	0.000	1	133.6470	0.000	1	133.6470	0.000	1	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5])	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	135.9010	0.000	1	135.9010	0.000	1	135.9010	0.000	1	135.9010	0.000	1	135.9010	0.000	1	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[5,6]	3:3:3:	3:2:1:	3:3:4:	C[5,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5a,6](C[5,6]C[5,6]C[5])(C[5a,6]C[5a]C[6])(C[5a]O[5a]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5a,6](C[5,6]C[5,6]C[5])(C[5a,6]C[5a]C[6])(C[5a]O[5a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	134.8050	0.000	1	134.8050	0.000	1	134.8050	0.000	1	134.8050	0.000	1	132.3110	6.600	5	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[5,6]	3:3:3:	3:2:4:	3:3:4:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a,6]-3:S[5a]-2:C-4:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C){1|S<4>,2|F<1>,5|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(S[5a]C[5a])(CH3){1|C<3>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	128.8690	0.000	1	128.8690	0.000	1	128.8690	0.000	1	128.8690	0.000	1	132.3110	6.600	5	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-3:C[5a,6]-3:S[5]-4:	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]C)(H)	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO)	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H){1|Ni<4>,1|P<4>,2|O<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]C)(H){1|Ni<4>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	131.4700	0.030	2	131.4700	0.001	2	131.4700	0.001	2	131.4700	0.001	2	132.3110	6.600	5	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6]-3:N[5,6]-3:N[5]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3){1|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<2>,2|C<4>,4|C<3>}	134.9410	0.000	1	134.9410	0.000	1	134.9410	0.000	1	134.9410	0.000	1	132.3110	6.600	5	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5,5a]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5,5]-3:Si[5]-2:	C[5a](C[5,5a]C[5,5a]C[5])(C[5]C[5,5]Si[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C[5])(C[5]C[5]HH)	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5])	C[5a](C[5,5a]C[5,5a]C[5])(C[5]C[5,5]Si[5])(S[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C[5])(C[5]C[5]HH){1|Si<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	129.7730	0.000	1	129.7730	0.000	1	129.7730	0.000	1	129.7730	0.000	1	129.7730	0.000	1	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,5a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[5])(S[5a]C[5a,5a])	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[5])(S[5a]C[5a,5a]){1|S<2>,2|C<3>,2|C<4>}	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|S<2>,3|C<3>,4|F<1>}	125.2460	0.390	2	125.2460	0.152	2	125.2460	0.152	2	125.2460	0.152	2	124.6196	2.594	5	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[5]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5])(C[5a]C[5a]H)	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]){1|F<1>,2|H<1>,6|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	123.6690	2.686	2	123.6690	7.212	2	123.6690	7.212	2	124.2020	4.458	3	124.6196	2.594	5	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a]-3:N[5]-3:S[5]-2:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[5])	C[5](C[5a]C[5a,5a]C[5a])(N[5]C[5]B)(S[5]C[5])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5]){1|B<4>,8|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[5]){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5](C[5a]C[5a,5a]C[5a])(N[5]C[5]B)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	125.2680	0.000	1	125.2680	0.000	1	125.2680	0.000	1	124.2020	4.458	3	124.6196	2.594	5	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5a,6]-3:C[5]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a]-3:C[5,6]-3:P[5]-3:	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5,6]P[5])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6])	C[5](C[5a]C[5a,6]S[5a])(C[5,6]C[5,6]C[6])(P[5]C[6a]C[5])	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5,6]P[5])(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	C[5](C[5a]C[5a,6]S[5a])(C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	128.3585	2.842	2	128.3585	8.076	2	128.3585	8.076	2	128.3585	8.076	2	131.1422	29.905	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	128.8940	0.000	1	128.8940	0.000	1	128.8940	0.000	1	133.9260	50.642	2	131.1422	29.905	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]Os)(C[5]N[5]2)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H)	C[5](C[5a]C[5a,6]N[5a])(N[5]C[5,6a]Os)(N[5]C[5,6a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]Os)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H){1|Os<9>,1|C<3>,2|H<1>,2|N<3>}	C[5](C[5a]C[5a,6]N[5a])(N[5]C[5,6a]Os)(N[5]C[5,6a]H){1|N<2>,4|C<3>}	138.9580	0.000	1	138.9580	0.000	1	138.9580	0.000	1	133.9260	50.642	2	131.1422	29.905	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:2:3:	3:3:2:	3:2:2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]O[5a]C[5])(N[6a]C[6a])	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]O[5a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|S<2>}	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2{1|N<2>,2|C<3>,2|H<1>}	133.0882	2.137	8	133.0882	4.565	8	133.0882	4.565	8	133.0882	4.565	8	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:2:3:	3:3:3:	3:2:2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5,6])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5,6])2{2|S<2>,3|C<3>}	133.1010	0.000	1	133.1010	0.000	1	132.9065	0.076	2	132.9065	0.076	2	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:2:3:	3:3:3:	3:2:2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2{2|S<2>,3|C<3>}	132.7120	0.000	1	132.7120	0.000	1	132.9065	0.076	2	132.9065	0.076	2	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,2|N<2>,4|C<3>}	129.9500	0.000	1	129.9500	0.000	1	129.9500	0.000	1	129.9500	0.000	1	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]2)(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[5](C[5a]C[5a,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	126.8070	0.901	2	126.8582	0.414	4	126.8582	0.414	4	126.8582	0.414	4	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]2)(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	C[5](C[5a]C[5a,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	126.9095	0.647	2	126.8582	0.414	4	126.8582	0.414	4	126.8582	0.414	4	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]){1|F<1>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	129.8730	3.178	2	129.8730	10.098	2	129.8730	10.098	2	128.2867	4.625	11	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	128.8640	0.000	2	128.8640	0.000	2	127.7827	3.508	3	128.2867	4.625	11	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	125.6200	0.000	1	125.6200	0.000	1	127.7827	3.508	3	128.2867	4.625	11	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:O[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5]){1|N<3>,3|H<1>,4|C<3>}	127.1480	0.385	5	127.1480	0.148	5	127.1480	0.148	5	128.2867	4.625	11	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,1|S<2>,4|C<3>}	132.3200	0.000	1	132.3200	0.000	1	132.3200	0.000	1	128.2867	4.625	11	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H){1|Se<2>,1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5]){1|Se<2>,1|H<1>,1|N<3>,6|C<3>}	128.5680	0.000	1	128.5680	0.000	1	128.5680	0.000	1	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	124.1530	0.000	1	124.1530	0.000	1	124.3990	1.840	4	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[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>}	126.3850	0.000	1	126.3850	0.000	1	124.3990	1.840	4	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	123.5020	0.000	1	123.5290	0.001	2	124.3990	1.840	4	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	123.5560	0.000	1	123.5290	0.001	2	124.3990	1.840	4	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|N<3>,5|C<3>}	129.2230	0.000	1	129.2230	0.000	1	129.4470	0.100	2	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	129.6710	0.000	1	129.6710	0.000	1	129.4470	0.100	2	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[5,6a])2(C[5]C[5]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C[5])	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2	C[5a](C[5a,6a]C[5a,6a,6a]C[5,6a])2(C[5]C[5]2){2|C<4>,8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C[5]){1|C<4>,8|C<3>}	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2{6|C<3>}	121.9545	2.389	2	121.9545	5.709	2	121.9545	5.709	2	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O){1|C<4>,1|S<2>,4|C<3>}	121.8875	0.385	2	121.8875	0.149	2	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O){1|O<2>,4|F<1>,5|C<3>}	125.5580	0.000	1	125.5580	0.000	1	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	126.6510	0.181	2	126.6510	0.033	2	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	131.4750	0.000	1	131.4750	0.000	1	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	129.0905	0.120	2	129.0905	0.014	2	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	128.1955	0.649	4	128.1955	0.421	4	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	131.7280	0.000	1	131.7280	0.000	1	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	128.2025	2.225	2	128.7065	3.436	8	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	128.8745	1.920	6	128.7065	3.436	8	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	129.1300	1.585	2	129.1300	2.513	2	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	129.6060	0.000	1	129.6060	0.000	1	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	126.7250	0.000	1	126.7250	0.000	1	128.0418	6.315	25	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]O)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	128.3690	0.000	1	128.3690	0.000	1	128.3690	0.000	1	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ru)(C[5]N[5]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]N[5a])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ru)(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Ru<6>,1|C<3>,2|N<3>}	C[5](C[5a]C[5a,6a]N[5a])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H){1|N<2>,4|C<3>}	138.1330	0.000	1	138.1330	0.000	1	138.1330	0.000	1	127.6809	11.188	36	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|C<4>,1|H<1>,2|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<1>,1|O<2>,2|F<1>,5|C<3>}	127.6520	0.000	1	127.6520	0.000	1	124.4547	4.771	34	124.4547	4.771	34	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	128.6253	1.269	3	128.6202	1.074	4	124.4547	4.771	34	124.4547	4.771	34	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	128.6050	0.000	1	128.6202	1.074	4	124.4547	4.771	34	124.4547	4.771	34	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	127.1980	0.000	1	127.1980	0.000	1	124.4547	4.771	34	124.4547	4.771	34	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	123.6280	1.425	25	123.6280	2.031	25	124.4547	4.771	34	124.4547	4.771	34	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	123.8103	0.025	3	123.8103	0.001	3	124.4547	4.771	34	124.4547	4.771	34	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5,6]-4:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	126.9640	0.000	1	126.9640	0.000	1	126.9640	0.000	1	126.9640	0.000	1	127.1546	13.088	97	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5,6]	3:3:3:	3:2:1:	4:3:3:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2)	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	126.0840	0.000	1	126.0840	0.000	1	126.0840	0.000	1	126.0840	0.000	1	125.3990	9.633	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5,6]	3:3:3:	3:2:4:	4:3:3:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C)	C[5a](C[5a]C[5,6]C[5a])(S[5a]C[5a])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2)	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C){1|P<4>,5|C<4>}	C[5a](C[5a]C[5,6]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|P<4>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2){1|C<3>,1|P<4>,1|S<2>,3|H<1>,4|C<4>}	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	125.3990	9.633	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5,6]C[5a])(C[5a]O[5a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2)	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5,6]C[5a])(C[5a]O[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	128.4680	0.000	1	128.4680	0.000	1	128.4680	0.000	1	128.4680	0.000	1	125.3990	9.633	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:P-4:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C)	C[5a](C[5a]C[5,6]C[5a])(C[5a]S[5a]C)(PC[6a]2Rh)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2)	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C){1|P<4>,5|C<4>}	C[5a](C[5a]C[5,6]C[5a])(C[5a]S[5a]C)(PC[6a]2Rh){1|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2){1|C<3>,1|P<4>,1|S<2>,3|H<1>,4|C<4>}	125.9680	0.000	1	125.9680	0.000	1	125.9680	0.000	1	125.9680	0.000	1	125.3990	9.633	4	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:1:	3:2:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5](C[5a]C[5a]S[5a])(S[5]C[5,6])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){1|C<3>,2|S<2>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5,6])2{1|C<3>,1|O<1>,3|S<2>}	121.1560	0.238	2	122.8907	1.829	6	120.7430	5.766	19	120.7430	5.766	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:1:	3:2:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5](C[5a]C[5a]S[5a])(S[5]C[5,6])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){1|C<3>,2|S<2>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5,6])2{2|Se<2>,1|C<3>,1|O<1>,1|S<2>}	123.7580	0.145	4	122.8907	1.829	6	120.7430	5.766	19	120.7430	5.766	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:1:	3:2:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){1|C<2>,2|C<3>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){1|C<3>,2|S<2>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|H<1>,1|O<1>,1|S<2>}	116.7140	0.000	1	119.7518	4.516	13	120.7430	5.766	19	120.7430	5.766	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:1:	3:2:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){1|C<3>,2|S<2>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|S<2>}	119.7520	0.000	1	119.7518	4.516	13	120.7430	5.766	19	120.7430	5.766	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:1:	3:2:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){1|C<3>,2|S<2>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>}	119.9420	2.194	10	119.7518	4.516	13	120.7430	5.766	19	120.7430	5.766	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:1:	3:2:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:S[5]-2:S[5]-2:	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){1|C<3>,2|S<2>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|O<1>,1|S<2>,2|I<1>}	120.8870	0.000	1	119.7518	4.516	13	120.7430	5.766	19	120.7430	5.766	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(H){1|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2{1|H<1>,1|S<2>,3|C<3>}	125.4257	0.620	3	125.4257	0.384	3	125.4257	0.384	3	125.4257	0.384	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN)	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN){2|N<2>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5]){1|O<1>,1|O<2>,2|N<2>}	130.4325	1.651	2	130.4325	2.726	2	130.0070	1.219	4	129.8124	3.130	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN)	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){2|N<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN){2|N<2>}	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2{1|O<2>,2|N<2>}	129.5815	0.455	2	129.5815	0.207	2	130.0070	1.219	4	129.8124	3.130	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(OC[5a])	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(C[5]N[5]2){2|N<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(OC[5a]){2|N<2>}	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2{1|N<2>,2|O<2>}	129.6827	2.203	6	129.6827	4.852	6	129.6827	4.852	6	129.8124	3.130	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN){1|N<2>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	128.0780	0.000	1	128.0780	0.000	1	128.0780	0.000	1	128.0780	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:2:	3:3:4:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|N<2>,1|O<2>,1|S<2>,2|C<3>,4|F<1>}	124.9250	0.339	2	126.2493	5.319	3	126.2493	5.319	3	126.2493	5.319	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:2:	3:3:4:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	128.8980	0.000	1	126.2493	5.319	3	126.2493	5.319	3	126.2493	5.319	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:2:	3:4:3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:O-2:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:3:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CNN)	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(C[5]N[5]2){1|C<4>,2|N<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CNN){1|C<4>,2|N<2>}	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2{1|C<3>,1|N<2>,1|N<3>}	129.6353	1.822	3	129.6353	3.320	3	129.6353	3.320	3	128.7675	2.575	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:3:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHH)	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){2|N<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHH){2|N<2>}	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2{1|N<2>,1|N<3>,1|O<2>}	127.8820	1.308	2	127.8820	1.711	2	127.8997	0.857	3	128.7675	2.575	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:3:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHN)	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHN){2|N<2>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	127.9350	0.000	1	127.9350	0.000	1	127.8997	0.857	3	128.7675	2.575	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(NOO)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(NOO){1|H<1>,1|N<2>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|H<1>,2|N<2>,2|N<3>}	131.7570	0.000	1	131.7570	0.000	1	129.1145	13.966	2	129.1145	13.966	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHN)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHN){1|N<2>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|N<2>,1|O<2>,2|N<3>}	126.4720	0.000	1	126.4720	0.000	1	129.1145	13.966	2	129.1145	13.966	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	125.7504	1.569	8	125.7504	2.462	8	125.7504	2.462	8	126.3629	3.768	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:4:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,3|C<3>,4|F<1>}	129.7270	0.000	1	128.8130	1.671	2	128.8130	1.671	2	126.3629	3.768	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:4:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|C<3>,2|N<2>,4|F<1>}	127.8990	0.000	1	128.8130	1.671	2	128.8130	1.671	2	126.3629	3.768	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:4:	3:4:3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|C<4>,2|C<3>,2|S<2>,4|F<1>}	129.1670	0.000	1	129.1670	0.000	1	129.1670	0.000	1	129.1670	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:2:4:	4:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-4:C[5]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){1|O<2>,5|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	128.3900	0.000	1	128.3900	0.000	1	128.3900	0.000	1	128.3900	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:2:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]Se[5])2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){2|Se<2>,1|C<2>,1|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<2>,2|N<2>}	C[5](C[5a]C[5a]O[5a])(N[5]Se[5])2{1|H<1>,2|C<3>}	133.0276	0.521	7	133.0276	0.272	7	133.0276	0.272	7	131.4375	6.890	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:2:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5])2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){1|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,2|N<2>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5])2{1|H<1>,4|C<3>}	127.3290	0.656	2	127.7273	0.691	3	127.7273	0.691	3	131.4375	6.890	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:2:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-2:N[5]-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5])2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5])2{2|C<3>,5|H<1>}	128.5240	0.000	1	127.7273	0.691	3	127.7273	0.691	3	131.4375	6.890	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])2(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]C[5])2(H){1|H<1>,2|N<2>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|C<3>,2|H<1>,2|N<3>}	131.1930	0.000	1	131.1930	0.000	1	131.1930	0.000	1	133.4902	7.516	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	131.5950	0.000	1	131.5950	0.000	1	131.5950	0.000	1	133.4902	7.516	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	135.6790	0.368	2	135.6790	0.135	2	135.6348	0.234	5	133.4902	7.516	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	135.6053	0.630	3	135.6053	0.397	3	135.6348	0.234	5	133.4902	7.516	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	131.9570	0.000	1	131.9570	0.000	1	130.2250	6.000	2	133.4902	7.516	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)(N[5]C[5])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	128.4930	0.000	1	128.4930	0.000	1	130.2250	6.000	2	133.4902	7.516	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	127.8340	0.000	1	127.8340	0.000	1	127.8340	0.000	1	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|H<1>,4|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	131.5230	0.000	1	131.5230	0.000	1	131.5230	0.000	1	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	132.2290	0.000	1	132.2290	0.000	1	133.5072	1.768	6	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Co<4>,1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|N<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	133.5630	1.237	2	133.5630	1.531	2	133.5072	1.768	6	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|N<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	135.3780	0.000	1	135.3780	0.000	1	133.5072	1.768	6	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cu<4>,2|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	132.1750	0.000	1	132.1750	0.000	1	133.5072	1.768	6	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	134.1350	0.000	1	134.1350	0.000	1	133.5072	1.768	6	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O){1|C<2>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	127.6510	0.000	1	127.6510	0.000	1	128.4659	1.370	8	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	129.9255	0.257	2	129.9255	0.066	2	128.4659	1.370	8	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)2{1|H<1>,4|C<3>}	127.9090	0.000	1	127.9090	0.000	1	128.4659	1.370	8	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	128.0790	1.109	4	128.0790	1.230	4	128.4659	1.370	8	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,4|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)2{2|C<3>,5|H<1>}	126.4455	0.043	2	126.4455	0.002	2	127.4926	0.495	8	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,2|N<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	127.8417	0.329	6	127.8417	0.108	6	127.4926	0.495	8	129.5028	7.213	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:4:2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]C[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]C[5]){1|C<2>,3|C<3>,3|H<1>}	130.5260	0.000	1	130.5260	0.000	1	130.5260	0.000	1	130.5260	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	132.8918	3.036	4	132.8918	9.216	4	132.8918	9.216	4	130.7278	17.127	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5]-4:C[5]-3:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[5]C[5]S[5])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H)	C[5](C[5a]C[5a]S[5a])(S[5]C[5,5a]OO)(C[5]C[5,5a]H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[5]C[5]S[5]){1|H<1>,1|S<2>,2|O<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H){1|S<4>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5,5a]OO)(C[5]C[5,5a]H){1|H<1>,1|S<2>,3|C<3>}	127.3470	0.000	1	127.3470	0.000	1	127.3470	0.000	1	130.7278	17.127	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	130.7278	17.127	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:1:	3:4:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]H)(O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[5]C[5]2){1|S<1>,2|C<4>,5|H<1>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]H)(O){1|S<1>,2|C<4>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2{1|C<3>,1|N<3>,1|O<1>,4|H<1>}	125.6230	0.000	1	125.6230	0.000	1	125.6230	0.000	1	125.6230	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:2:	3:3:2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[5]C[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(NC[6a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[5]C[5]S[5]){1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,4|C<3>}	124.4565	0.418	2	124.4565	0.175	2	124.4565	0.175	2	124.4565	0.175	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:2:	3:3:3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(OC)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(OC){1|H<1>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|O<2>,4|C<3>}	131.3225	1.163	2	131.3225	1.353	2	131.3225	1.353	2	131.3225	1.353	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])2(NOO)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])2(NOO){1|H<1>,2|N<2>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	132.7850	0.000	1	132.7850	0.000	1	132.7850	0.000	1	132.7850	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(COO)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(COO){1|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2{1|N<3>,4|C<3>}	130.2190	0.000	1	130.2190	0.000	1	130.2190	0.000	1	130.2190	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:4:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C[5])(CH3)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C[5])(CH3){1|C<4>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	127.9503	0.666	3	127.9503	0.443	3	128.1852	0.325	5	128.2353	0.283	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:4:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CCHO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	128.5200	0.000	1	128.5200	0.000	1	128.1852	0.325	5	128.2353	0.283	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:4:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	128.5550	0.000	1	128.5550	0.000	1	128.1852	0.325	5	128.2353	0.283	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:4:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	127.9390	0.000	1	128.3605	0.355	2	128.3605	0.355	2	128.2353	0.283	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:2:3:	3:3:4:	3:3:4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,4|C<3>,4|F<1>}	128.7820	0.000	1	128.3605	0.355	2	128.3605	0.355	2	128.2353	0.283	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:1:	3:2:2:	C[5a]-3:C[5]-3:S[5a]-2:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:Se[5]-2:Se[5]-2:	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O)	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])2	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a]){3|C<3>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(O){2|Se<2>,1|C<3>}	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>}	120.1248	1.439	6	120.1248	2.070	6	120.1248	2.070	6	120.1248	2.070	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]S[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(H)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5a](C[5a]S[5a]C[5])(S[5a]C[5a])(H){1|C<3>,1|O<1>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,1|S<2>,2|C<3>}	125.8760	0.284	2	125.8760	0.081	2	125.8760	0.081	2	125.8760	0.081	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(H)	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(H){1|C<3>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	125.8055	1.257	2	125.8055	1.579	2	125.8055	1.579	2	125.8055	1.579	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:2:	3:2:2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5]-2:O[5]-2:	C[5a](C[5]N[5]O[5])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN)	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN){1|N<2>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|N<2>}	128.6680	0.000	1	128.6680	0.000	1	128.6680	0.000	1	128.6680	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:2:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(OC[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(OC[5a]){1|C<3>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|O<1>,2|N<2>,2|O<2>}	128.8050	0.000	1	128.8050	0.000	1	128.8050	0.000	1	128.8050	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:2:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(OC[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(OC[5a]){1|C<3>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,2|N<2>,2|O<2>}	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	127.7240	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:3:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHH){1|C<3>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	129.6490	0.000	1	129.6490	0.000	1	130.6910	2.172	2	130.6910	2.172	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:3:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NOO)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NOO){1|C<3>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	131.7330	0.000	1	131.7330	0.000	1	130.6910	2.172	2	130.6910	2.172	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:3:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NHH){1|C<3>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	133.6810	0.000	1	133.6810	0.000	1	132.2930	3.853	2	132.2930	3.853	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:3:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NOO)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NOO){1|C<3>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	130.9050	0.000	1	130.9050	0.000	1	132.2930	3.853	2	132.2930	3.853	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){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>}	127.2460	0.000	1	127.2460	0.000	1	127.2460	0.000	1	126.0425	1.327	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){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>}	126.6710	0.000	1	126.6710	0.000	1	125.8018	1.224	5	126.0425	1.327	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){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>}	126.1145	1.136	2	126.0533	0.657	3	125.8018	1.224	5	126.0425	1.327	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){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>}	125.9310	0.000	1	126.0533	0.657	3	125.8018	1.224	5	126.0425	1.327	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<4>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){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>}	124.1780	0.000	1	124.1780	0.000	1	125.8018	1.224	5	126.0425	1.327	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	3:3:4:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:S[5]-4:	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a]){2|O<1>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	126.2260	0.000	1	126.2260	0.000	1	126.2260	0.000	1	126.2260	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	4:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){6|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,8|C<3>}	125.0490	0.000	1	125.0490	0.000	1	125.0490	0.000	1	127.1912	2.098	4	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	4:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	P[5]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|O<1>,5|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|P<4>,2|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	127.7440	0.133	2	127.7440	0.018	2	127.9053	0.087	3	127.1912	2.098	4	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:2:4:	4:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:C-4:	P[5]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3)	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<1>,5|C<3>}	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(CH3){1|P<4>,2|C<3>}	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	128.2280	0.000	1	128.2280	0.000	1	127.9053	0.087	3	127.1912	2.098	4	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-2:O[5]-2:	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	132.6860	0.000	1	132.6860	0.000	1	132.6700	0.001	2	130.4210	6.983	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-2:O[5]-2:	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	132.6540	0.000	1	132.6540	0.000	1	132.6700	0.001	2	130.4210	6.983	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:Se[5]-2:N[5]-2:	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5])	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	130.2090	0.034	2	130.2090	0.001	2	130.2090	0.001	2	130.4210	6.983	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-2:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5])(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5])(S[5]C[5]){2|C<3>,3|H<1>}	127.6110	0.000	2	127.6110	0.000	2	127.6110	0.000	2	130.4210	6.983	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:Se[5]-2:N[5]-2:	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5])	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	128.7495	0.612	2	128.7495	0.374	2	128.7495	0.374	2	130.4210	6.983	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5a]-3:C[5]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:Se[5]-2:N[5]-2:	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H)	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5])	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a]){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5]){2|H<1>,3|C<3>}	135.3100	0.000	1	135.3100	0.000	1	135.3100	0.000	1	130.4210	6.983	9	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:2:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5]-2:C[5]-3:	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C)	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	131.3210	1.291	2	131.3210	1.667	2	131.3210	1.667	2	131.3210	1.667	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	129.4107	0.156	3	129.4107	0.024	3	129.4107	0.024	3	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:Se[5]-2:	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	133.5220	0.181	2	133.5220	0.033	2	133.5220	0.033	2	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	N[5,6]-3:C[5a]-3:O[5]-2:	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5])	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|B<4>,2|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5]){1|H<1>,1|N<3>,3|C<3>,4|F<1>}	136.6840	0.000	1	136.6840	0.000	1	136.6840	0.000	1	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]Cl)(S[5]S[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a]){2|Cl<1>,1|N<2>,1|S<2>}	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]N[5]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	127.8675	1.481	2	127.8675	2.195	2	127.8675	2.195	2	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5])	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Br<1>,1|Se<2>,1|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	129.1315	0.236	4	129.1315	0.056	4	128.4968	2.056	5	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5])	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|Se<2>,1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	125.9580	0.000	1	125.9580	0.000	1	128.4968	2.056	5	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:O[5]-2:	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6])	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	129.7100	0.000	1	129.7100	0.000	1	129.7100	0.000	1	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]Se[5]H)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|Se<2>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	C[5](C[5a]C[5a]S[5a])(C[5]Se[5]H)(N[5]N[5]){1|H<1>,2|C<3>}	129.5490	0.000	1	129.5490	0.000	1	129.5490	0.000	1	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5]){1|Cu<3>,2|C<3>,3|H<1>}	125.0380	0.000	1	126.8415	6.505	2	127.7101	4.684	8	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	128.6450	0.000	1	126.8415	6.505	2	127.7101	4.684	8	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5]){1|Re<6>,1|H<1>,3|C<3>}	125.8925	0.928	2	127.8347	11.747	3	127.7101	4.684	8	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5]){1|Ru<6>,1|H<1>,3|C<3>}	131.7190	0.000	1	127.8347	11.747	3	127.7101	4.684	8	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	128.4900	0.000	1	128.1647	0.305	3	127.7101	4.684	8	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	128.0020	0.672	2	128.1647	0.305	3	127.7101	4.684	8	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:S[5]-2:	C[5a](C[5]N[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5,6a]Al)(S[5]C[5,6a])	C[5a](C[5]N[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5,6a]Al)(S[5]C[5,6a]){1|H<1>,4|C<3>}	126.0740	0.000	1	126.0740	0.000	1	126.0740	0.000	1	129.0497	7.399	24	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	130.2870	0.000	1	130.6423	2.318	3	130.6423	2.318	3	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	130.8200	2.109	2	130.6423	2.318	3	130.6423	2.318	3	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	129.3010	0.000	1	129.3010	0.000	1	129.3010	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|C<3>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,2|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>}	136.2210	0.000	1	136.2210	0.000	1	136.2210	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	135.2560	0.000	1	135.2560	0.000	1	135.2560	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|C<4>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[5])(H){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	122.7790	0.000	1	122.7790	0.000	1	122.7790	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<4>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O){2|C<3>,3|C<4>,5|H<1>}	127.7013	0.436	4	127.7013	0.190	4	127.7013	0.190	4	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)(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[5a](C[5]C[5,5a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)(H){3|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>}	127.5180	0.000	1	127.5180	0.000	1	127.5180	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|H<1>,6|C<3>}	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]F)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]F)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	123.5740	0.000	1	123.5740	0.000	1	123.9652	0.418	9	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	123.8240	0.000	1	124.0141	0.453	8	123.9652	0.418	9	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	124.0413	0.722	7	124.0141	0.453	8	123.9652	0.418	9	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-3:C[5a]-3:P[5]-3:	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]P[5])	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]P[5]){2|C<4>,3|H<1>,5|C<3>}	126.9440	2.337	8	126.9440	5.463	8	126.9440	5.463	8	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:	C[5a](C[5]C[5,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a](C[5]C[5,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|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>}	127.8540	0.000	1	127.8540	0.000	1	127.8540	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]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[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|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>}	125.9330	0.000	1	125.9330	0.000	1	125.9330	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|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>}	129.0150	0.000	1	129.0150	0.000	1	129.0150	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,3|C<3>}	126.5890	0.000	1	126.5890	0.000	1	126.5890	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O)	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<4>,1|O<1>,1|S<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]C)(O){1|S<1>,2|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>}	126.2530	0.000	1	126.2530	0.000	1	126.2530	0.000	1	127.0275	10.519	35	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:4:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	C[5,5]-3:C[5a]-3:P[5]-4:	C[5a](C[5]C[5,5]P[5])(C[5a]N[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O)	C[5a](C[5]C[5,5]P[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|P<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	129.8845	2.313	2	129.8845	5.350	2	129.8845	5.350	2	128.4727	8.655	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:3:4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-3:C[5a]-3:P[5]-4:	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]C[6]Pd)	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]C[6]Pd){3|C<3>,4|C<4>,4|H<1>}	125.6490	0.000	1	125.6490	0.000	1	125.6490	0.000	1	128.4727	8.655	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:4:2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	132.3350	1.626	2	132.3350	2.645	2	132.3350	2.645	2	129.2783	9.027	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:4:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5]){1|H<1>,5|C<3>}	131.2270	0.000	1	131.2270	0.000	1	127.6240	7.210	4	129.2783	9.027	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:4:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	126.5120	2.068	2	126.5120	4.275	2	127.6240	7.210	4	129.2783	9.027	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:4:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,4|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,2|H<1>}	126.2450	0.000	1	126.2450	0.000	1	127.6240	7.210	4	129.2783	9.027	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:4:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:P[5]-4:N[5]-2:	C[5a](C[5]N[5]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(P[5]N[5]CW)(N[5]C[5])	C[5a](C[5]N[5]P[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|W<6>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|P<4>}	C[5](C[5a]C[5a]S[5a])(P[5]N[5]CW)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	129.7820	0.000	1	129.7820	0.000	1	129.7820	0.000	1	129.2783	9.027	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:4:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-3:P[5]-4:C[5a]-3:	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Os)(C[5a]C[5a]S[5a])	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Os<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Os)(C[5a]C[5a]S[5a]){2|C<4>,3|H<1>,5|C<3>}	125.8208	0.353	4	125.8208	0.125	4	125.8208	0.125	4	125.9130	0.183	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	3:4:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5]-4:C[5]-3:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|S<4>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	126.0975	0.663	2	126.0975	0.439	2	126.0975	0.439	2	125.9130	0.183	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	4:3:3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,5|C<4>}	C[5a](C[5a]O[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	141.7524	0.902	5	141.7524	0.814	5	141.7524	0.814	5	139.3602	34.988	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:1:	4:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,8|C<3>}	127.3990	0.000	1	127.3990	0.000	1	127.3990	0.000	1	139.3602	34.988	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5]-3:Se[5]-2:	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]S)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]S)(SS)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]S)(SS){1|Se<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	132.7770	0.033	2	132.7770	0.001	2	132.7770	0.001	2	132.7770	0.001	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:N[5]-3:O[5]-2:	C[5a](C[5]N[5]O[5])(C[5a]C[5a]P)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(PC[6a]2Pd)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]Pd)(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]P)(S[5a]C[5a]){1|Pd<4>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(PC[6a]2Pd){1|H<1>,1|N<3>,1|O<2>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5]Pd)(O[5]C[5]){1|H<1>,1|P<4>,2|C<3>,3|C<4>}	127.2090	0.000	1	127.2090	0.000	1	127.2090	0.000	1	127.2090	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,2|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>}	130.0260	0.000	1	130.0260	0.000	1	130.0260	0.000	1	130.0260	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5]-3:C[5a]-3:S[5]-4:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<4>,5|C<3>}	128.6410	0.000	1	128.6410	0.000	1	129.1395	0.497	2	129.1395	0.497	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5]-3:C[5a]-3:S[5]-4:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<2>,5|C<3>}	129.6380	0.000	1	129.6380	0.000	1	129.1395	0.497	2	129.1395	0.497	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:4:	3:4:2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.4818	0.634	4	130.4818	0.402	4	130.4818	0.402	4	130.4442	0.308	5	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:2:	3:3:4:	3:4:2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<2>,4|H<1>}	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5]){2|C<3>,3|C<4>}	130.2940	0.000	1	130.2940	0.000	1	130.2940	0.000	1	130.4442	0.308	5	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5]-3:C[5a]-3:O[5]-2:	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5])	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	128.4530	0.000	1	128.4530	0.000	1	128.4530	0.000	1	128.7362	7.945	5	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|S<2>}	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	131.2195	2.461	2	131.2195	6.059	2	131.2195	6.059	2	128.7362	7.945	5	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5]-3:C[5]-2:	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)(C[5]N[5])	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)(C[5]N[5]){1|N<2>,1|N<3>,4|H<1>}	127.4760	0.000	1	127.4760	0.000	1	127.4760	0.000	1	128.7362	7.945	5	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)(N[5]C[5])	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,4|C<4>}	125.3130	0.000	1	125.3130	0.000	1	125.3130	0.000	1	128.7362	7.945	5	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5,6]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	129.9790	0.000	1	129.9790	0.000	1	129.9790	0.000	1	128.8216	8.484	12	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5]-3:C[5]-3:	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Cu)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Cu)(C[5]N[5]H)	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Cu)(C[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<2>,3|H<1>}	136.5370	0.000	1	136.5370	0.000	1	136.5370	0.000	1	128.8216	8.484	12	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|Co<6>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	127.4030	0.000	1	127.7743	0.174	3	127.7743	0.174	3	128.8216	8.484	12	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|N<2>,1|N<3>,4|H<1>}	127.9600	0.376	2	127.7743	0.174	3	127.7743	0.174	3	128.8216	8.484	12	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	128.2750	1.227	4	128.2750	1.506	4	128.2750	1.506	4	128.8216	8.484	12	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]N[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]N[5]2){1|H<1>,2|C<4>,2|O<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H){2|H<1>,2|N<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	124.1000	0.000	1	124.1000	0.000	1	124.1000	0.000	1	128.8216	8.484	12	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|Cu<6>,1|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	129.1630	0.000	1	129.1630	0.000	1	129.4100	0.122	2	128.8216	8.484	12	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](N[5a]C[5a]Ni)(C[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	C[5a](N[5a]C[5a]Ni)(C[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|Ni<6>,1|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	129.6570	0.000	1	129.6570	0.000	1	129.4100	0.122	2	128.8216	8.484	12	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:3:4:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5,6]-3:C[5a]-3:C[5]-4:	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H){3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	126.0490	0.000	1	126.0490	0.000	1	126.0490	0.000	1	126.0490	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:4:2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(Cl)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	127.5210	0.000	1	127.5210	0.000	1	127.5210	0.000	1	127.5210	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	3:4:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2){3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	4:3:2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2{2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	127.1600	0.000	1	127.1600	0.000	1	127.1600	0.000	1	127.1600	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:1:	4:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5,5,6]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,5,6]C[5])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5,6]C[5])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2){1|O<1>,1|S<2>,3|C<3>,3|C<4>,4|H<1>}	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:2:	3:2:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5]-2:O[5]-2:	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CN)	C[5](C[5a]C[5a]N[5a])(C[5]C[5])(O[5]C[5])	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H){2|C<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CN){1|C<2>,1|H<1>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5])(O[5]C[5]){1|C<2>,2|N<2>,3|H<1>}	133.0410	0.000	1	133.0410	0.000	1	133.0410	0.000	1	133.0410	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5]-3:S[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(NC[6a])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(NC[6a]){1|S<2>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,1|S<2>,4|C<3>}	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:2:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]O[5a]N)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]O[5a]N){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(NS){1|H<1>,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>}	128.3320	0.000	1	128.3320	0.000	1	128.3320	0.000	1	128.3320	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:2:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-2:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<2>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.1883	0.894	3	123.1883	0.800	3	123.1883	0.800	3	123.7356	0.531	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:2:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:O-2:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(OC)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,1|S<2>,3|C<3>,4|F<1>}	124.1460	0.065	4	124.1460	0.004	4	124.1460	0.004	4	123.7356	0.531	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O){1|O<2>,4|F<1>,5|C<3>}	128.0950	0.000	1	128.0950	0.000	1	128.0950	0.000	1	129.1310	2.147	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(NOO)	C[5](C[5a]C[5a]2)(C[5]N[5]N)2	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[5]C[5]2){1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(NOO){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]N[5]N)2{1|H<1>,1|N<2>,2|N<3>}	130.1670	0.000	1	130.1670	0.000	1	130.1670	0.000	1	129.1310	2.147	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|C<4>,1|H<1>,2|F<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<1>,1|O<2>,2|F<1>,5|C<3>}	125.8970	0.000	1	125.8970	0.000	1	125.8970	0.000	1	125.4650	0.373	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|S<2>,4|C<3>,4|F<1>}	125.0330	0.000	1	125.0330	0.000	1	125.0330	0.000	1	125.4650	0.373	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	124.0175	0.616	2	124.0175	0.379	2	124.4675	0.484	4	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Si<4>,1|C<4>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<4>,5|C<3>}	124.9175	0.513	2	124.9175	0.263	2	124.4675	0.484	4	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|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>}	124.9890	0.000	1	124.9890	0.000	1	124.1888	0.330	5	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|S<4>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|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>}	123.8160	0.000	1	123.9888	0.174	4	124.1888	0.330	5	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|S<4>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|H<1>,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>}	124.0463	0.491	3	123.9888	0.174	4	124.1888	0.330	5	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<3>,1|N<3>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Dy<15>,1|H<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	124.6832	1.423	6	124.7472	1.387	9	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Pd<4>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	125.0585	0.839	2	124.7472	1.387	9	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Re<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	124.5090	0.000	1	124.7472	1.387	9	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	125.0263	0.663	4	125.0263	0.440	4	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	123.8705	0.131	2	124.2314	1.950	12	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Co<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	123.5520	0.943	4	124.2314	1.950	12	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	125.1236	1.705	5	124.2314	1.950	12	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Pt<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	123.2100	0.000	1	124.2314	1.950	12	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	125.1430	0.000	1	123.9247	2.015	6	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.6810	1.440	5	123.9247	2.015	6	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	126.2350	0.000	1	126.2350	0.000	1	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	123.8710	0.000	1	123.8710	0.000	1	124.4625	1.619	33	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:N[5]-3:C[5a]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,6|C<3>}	123.0030	0.000	1	123.0030	0.000	1	123.0030	0.000	1	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]N[5a]C)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C[5](C[5a]C[5a]2)(C[5]N[5]C)2	C[5a](C[5a]N[5a]C)2(C[5]C[5]2){1|H<1>,2|C<4>,2|N<2>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]C)2{1|N<2>,1|N<3>,2|C<4>}	126.8060	0.000	1	126.8060	0.000	1	126.8060	0.000	1	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	124.4750	0.000	1	124.4750	0.000	1	124.4750	0.000	1	124.4524	1.422	45	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(CH3)	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(CH3){1|C<4>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|S<2>,3|C<3>,4|F<1>}	124.0395	0.315	2	124.0395	0.099	2	124.0395	0.099	2	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCCH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCCH){1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	122.8270	0.000	1	122.8270	0.000	1	123.3305	1.998	28	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHH){1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	121.9660	0.194	2	121.9660	0.038	2	123.3305	1.998	28	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHO)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CCHO){1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	123.9560	0.000	1	123.9560	0.000	1	123.3305	1.998	28	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3){1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	123.4005	1.566	21	123.4005	2.451	21	123.3305	1.998	28	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CH3){1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	123.7093	0.037	3	123.7093	0.001	3	123.3305	1.998	28	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:O[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|O<2>,3|C<3>,4|F<1>}	127.5300	0.000	1	127.5300	0.000	1	127.5300	0.000	1	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	120.8680	0.000	1	120.8680	0.000	1	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCHH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	124.0640	0.454	8	124.0640	0.206	8	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|O<2>,2|C<3>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	122.7300	0.000	1	122.7300	0.000	1	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.2465	0.279	2	124.6049	2.320	77	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	124.6821	2.197	30	124.6049	2.320	77	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Fe<8>,1|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	124.2640	0.177	2	124.6049	2.320	77	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Si<4>,1|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	124.4080	0.000	1	124.6049	2.320	77	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	124.6200	0.890	41	124.6049	2.320	77	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,2|C<3>,2|S<2>,4|F<1>}	125.2650	0.000	1	124.6049	2.320	77	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	124.1210	0.000	1	125.5219	0.934	26	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	126.3130	0.690	2	125.5219	0.934	26	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	126.4620	0.000	1	125.5219	0.934	26	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	124.8047	0.553	7	125.5219	0.934	26	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	125.9527	0.403	4	125.5219	0.934	26	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	126.2608	0.725	4	125.5219	0.934	26	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	125.4104	1.174	7	125.5219	0.934	26	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.1980	0.000	1	123.1980	0.000	1	124.7145	2.154	114	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:S[5a]-2:Si-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SiC3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(SiC3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|Si<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	125.4820	0.170	2	125.4820	0.029	2	125.4820	0.029	2	124.4713	2.414	147	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:4:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:S[5]-4:C[5a]-3:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	125.8190	0.000	1	125.1603	2.044	4	125.1603	2.044	4	125.3775	1.348	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:4:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:S[5]-4:C[5a]-3:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){2|O<1>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	124.9407	1.666	3	125.1603	2.044	4	125.1603	2.044	4	125.3775	1.348	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	3:4:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5]-3:Si[5]-4:C[5a]-3:	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2)	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){3|C<3>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,4|C<3>}	125.8120	0.199	2	125.8120	0.040	2	125.8120	0.040	2	125.3775	1.348	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	4:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	P[5]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,6|C<3>}	125.8395	0.421	2	125.8395	0.177	2	126.2783	0.666	3	126.2783	0.666	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:2:4:	4:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:C-4:	P[5]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	127.1560	0.000	1	127.1560	0.000	1	126.2783	0.666	3	126.2783	0.666	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:O[5]-2:	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(H)	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5])	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	126.1300	0.000	1	126.1300	0.000	1	126.1300	0.000	1	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]Br)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Br)(Br)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]Br)(N[5a]C[5a]H){2|Br<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Br)(Br){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5]){2|Br<1>,1|H<1>,3|C<3>}	140.4530	0.000	1	140.4530	0.000	1	140.4530	0.000	1	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	132.4690	0.000	1	132.4690	0.000	1	130.7538	17.585	31	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	130.7150	0.000	1	130.7150	0.000	1	130.7538	17.585	31	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	129.5540	0.000	1	129.5540	0.000	1	130.7538	17.585	31	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	133.8478	4.280	4	130.6862	20.047	27	130.7538	17.585	31	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	129.4860	0.000	2	130.6862	20.047	27	130.7538	17.585	31	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	127.9530	0.000	1	130.6862	20.047	27	130.7538	17.585	31	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	130.3106	4.663	20	130.6862	20.047	27	130.7538	17.585	31	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	132.1010	0.000	1	132.1010	0.000	1	130.7538	17.585	31	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	N[5,6]-3:C[5a]-3:O[5]-2:	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5])	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,2|B<4>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5]){1|N<3>,2|H<1>,3|C<3>,4|F<1>}	129.7690	5.368	2	129.7690	28.819	2	129.7690	28.819	2	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(O)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	C[5](C[5a]C[5a]N[5a])(C[5]N[5]O)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	125.2980	0.000	1	125.2980	0.000	1	125.2980	0.000	1	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Rh)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Rh)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|Rh<4>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|Rh<4>,2|H<1>,3|C<3>}	127.0100	0.000	1	127.0100	0.000	1	127.0100	0.000	1	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	124.6790	0.000	2	124.6790	0.000	2	125.9463	4.818	3	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	128.4810	0.000	1	128.4810	0.000	1	125.9463	4.818	3	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:O[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5]){1|N<3>,3|H<1>,4|C<3>}	126.1880	0.354	5	126.1880	0.125	5	126.1880	0.125	5	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-2:	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)(C[5]N[5])	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)(C[5]N[5]){1|N<2>,1|N<3>,4|H<1>}	127.5010	0.000	1	127.5010	0.000	1	127.5010	0.000	1	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)(N[5]C[5])	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,4|C<4>}	129.9190	0.000	1	129.9190	0.000	1	129.9190	0.000	1	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])2(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]C[5])2(H){1|H<1>,2|N<2>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	132.2390	0.000	1	132.2390	0.000	1	132.2390	0.000	1	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5])(C[5a]C[5a,6]H)(H)	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5])(C[5a]C[5a,6]H)(H){1|B<4>,1|N<2>,2|C<3>}	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5]){1|B<4>,2|H<1>,3|C<3>}	126.4460	0.027	2	126.4460	0.001	2	128.5220	12.930	3	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5])(C[5a]C[5a,6]H)(H)	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5])(C[5a]C[5a,6]H)(H){1|N<2>,3|C<3>}	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	132.6740	0.000	1	132.6740	0.000	1	128.5220	12.930	3	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	132.7720	0.000	1	132.7720	0.000	1	132.7720	0.000	1	129.7802	17.849	52	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	123.5505	0.421	2	123.5505	0.177	2	123.8775	0.616	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Si<4>,1|C<4>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<4>,5|C<3>}	124.2045	1.115	2	124.2045	1.243	2	123.8775	0.616	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(H){1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	124.2860	0.000	1	124.2860	0.000	1	124.2860	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|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>}	122.6950	0.000	1	122.6950	0.000	1	123.2972	0.255	5	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|S<4>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|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>}	123.5550	0.000	1	123.5150	0.003	2	123.2972	0.255	5	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|S<4>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|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>}	123.4750	0.000	1	123.5150	0.003	2	123.2972	0.255	5	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|S<4>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,4|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>}	123.3805	0.738	2	123.3805	0.544	2	123.2972	0.255	5	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]O[5a]N)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]O[5a]N){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[5])(H){1|N<2>,4|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>}	127.6720	0.000	1	127.6720	0.000	1	126.1135	4.858	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]N)(H){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>}	124.5550	0.000	1	124.5550	0.000	1	126.1135	4.858	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<3>,1|N<3>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Dy<15>,1|H<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	122.9788	0.831	6	122.8601	0.666	9	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Pd<4>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	122.1215	0.330	2	122.8601	0.666	9	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Re<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	123.6250	0.000	1	122.8601	0.666	9	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	122.7080	0.812	3	122.7080	0.660	3	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	123.1800	0.192	2	122.9538	1.051	12	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Co<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	123.9753	0.599	4	122.9538	1.051	12	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	122.1528	0.819	5	122.9538	1.051	12	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Pt<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	122.4210	0.000	1	122.9538	1.051	12	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	118.8500	0.000	1	122.4947	6.749	6	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.2236	2.110	5	122.4947	6.749	6	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.2420	0.000	1	121.2420	0.000	1	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	124.0130	0.000	1	124.0130	0.000	1	122.7979	1.831	32	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:N[5]-3:C[5a]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,6|C<3>}	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]F)(F)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]F)(N[5a]C[5a]H){1|C<3>,1|F<1>,1|N<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]F)(F){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){1|F<1>,2|H<1>,3|C<3>}	128.1380	0.687	2	128.1380	0.472	2	128.1380	0.472	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|B<4>,2|O<2>,3|H<1>,5|C<3>}	129.2845	0.114	2	129.2845	0.013	2	129.4313	0.071	3	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	129.7250	0.000	1	129.7250	0.000	1	129.4313	0.071	3	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]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[5a](C[5]C[5,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){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>}	129.8100	0.000	1	129.8100	0.000	1	129.8100	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	127.8665	0.449	2	128.3212	0.355	4	128.3212	0.355	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	128.7760	0.191	2	128.3212	0.355	4	128.3212	0.355	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]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[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|Zn<4>,3|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>}	128.7920	0.301	2	129.3088	0.413	4	129.3088	0.413	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]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[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|Zn<5>,3|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>}	129.8255	0.285	2	129.3088	0.413	4	129.3088	0.413	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]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[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|Ni<4>,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>}	127.6965	0.149	2	127.5835	0.881	4	127.5835	0.881	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]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[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|Ni<4>,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>}	127.4705	1.603	2	127.5835	0.881	4	127.5835	0.881	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(N[5a]C[5a]Pt)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N)	C[5a](C[5]C[5,6a]C[5])(N[5a]C[5a]Pt)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|Pt<4>,3|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>}	128.1790	0.375	2	128.1790	0.140	2	128.1790	0.140	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H){1|Se<2>,1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5]){1|Se<2>,1|H<1>,1|N<3>,6|C<3>}	125.5140	0.000	1	125.5140	0.000	1	125.5140	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	124.2550	0.000	1	124.2550	0.000	1	124.2550	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	124.8280	0.013	2	124.8280	0.000	2	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	125.8295	1.513	2	124.8398	1.694	8	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	124.5098	1.180	6	124.8398	1.694	8	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	127.2610	0.000	1	127.2610	0.000	1	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.0580	0.000	1	122.0580	0.000	1	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.5870	0.934	4	125.5870	0.872	4	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	123.2280	0.000	1	123.2280	0.000	1	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	124.1075	1.459	2	124.1075	2.128	2	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	124.6420	0.000	1	124.6420	0.000	1	124.8063	1.901	20	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<3>,2|N<3>}	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]O)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	124.6140	0.000	1	124.6140	0.000	1	124.6140	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	123.5700	0.000	1	123.5700	0.000	1	123.5700	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|H<1>,3|C<3>}	128.2400	0.000	1	128.2400	0.000	1	128.2400	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H){2|H<1>,2|N<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	127.7400	0.000	1	127.7400	0.000	1	125.8100	7.450	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]N[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]N[5]2){1|H<1>,2|C<4>,2|O<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|H<1>,2|N<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	123.8800	0.000	1	123.8800	0.000	1	125.8100	7.450	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|H<1>,3|C<3>}	125.4370	0.000	1	125.4370	0.000	1	127.1722	1.302	5	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]N)2	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[5]C[5]2){1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|N<3>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]N)2{1|H<1>,1|N<2>,2|N<3>}	126.6730	0.000	1	126.6730	0.000	1	127.1722	1.302	5	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|Co<6>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	128.2550	0.000	1	128.2550	0.000	1	127.1722	1.302	5	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|N<2>,1|N<3>,4|H<1>}	127.7480	0.338	2	127.7480	0.114	2	127.1722	1.302	5	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H){2|H<1>,2|N<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	125.8870	0.000	1	125.8870	0.000	1	125.8870	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	126.5880	1.514	3	126.6962	1.576	4	126.6962	1.576	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	127.0210	0.000	1	126.6962	1.576	4	126.6962	1.576	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2){1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|P<4>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	127.4898	0.625	4	127.4898	0.391	4	127.4898	0.391	4	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	129.5120	0.000	1	129.5120	0.000	1	129.3333	0.132	3	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2){1|C<3>,1|N<2>,2|C<4>,2|O<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	129.2440	0.464	2	129.2440	0.215	2	129.3333	0.132	3	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O){3|C<4>,3|H<1>,4|C<3>}	129.7320	0.000	1	129.7320	0.000	1	129.7320	0.000	1	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(N[5]N[5]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(N[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	131.2090	0.000	1	131.2090	0.000	1	130.9260	0.160	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	130.6430	0.000	1	130.6430	0.000	1	130.9260	0.160	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O)	C[5a](C[5a]N[5a,6a]C[5])(N[5a]C[5a,6a]H)(O)	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6a]C[5])(N[5a]C[5a,6a]H)(O){1|N<3>,3|C<3>}	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H){1|N<3>,1|O<1>,4|C<3>}	126.4295	1.828	2	126.4295	3.341	2	126.4295	3.341	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Pt)(N[5]C[5]C)	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(C[5]N[5]2){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Pt<4>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Pt)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	139.8175	0.695	2	139.8175	0.483	2	139.8175	0.483	2	125.6718	10.360	116	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-3:C[5a]-3:C[5]-4:	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H){3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	131.1090	0.000	1	131.1090	0.000	1	131.1090	0.000	1	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,4|F<1>}	125.7520	0.000	1	125.4410	0.193	2	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	125.1300	0.000	1	125.4410	0.193	2	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	125.6970	0.000	1	125.6970	0.000	1	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]C[6])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]C[6])(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|O<2>,3|C<3>,4|F<1>}	125.5880	0.000	1	125.5880	0.000	1	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]B)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]B)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	124.7160	0.000	1	124.7160	0.000	1	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|O<2>,2|C<3>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	124.7860	0.000	1	124.7860	0.000	1	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.0805	0.108	2	122.8460	2.480	50	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	122.5950	1.861	28	122.8460	2.480	50	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.1741	1.123	20	122.8460	2.480	50	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	121.8475	0.620	2	122.8177	0.779	19	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	123.5541	0.378	7	122.8177	0.779	19	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	122.2230	0.856	4	122.8177	0.779	19	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	122.6785	0.821	6	122.8177	0.779	19	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[6])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	124.1270	0.653	2	124.1270	0.427	2	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	121.6172	0.434	4	121.6172	0.188	4	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Fe)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Fe<8>,1|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Fe)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.0215	0.381	2	123.0215	0.145	2	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	121.6210	0.000	1	121.6210	0.000	1	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Si)(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Si<4>,1|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Si)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.1360	0.000	1	123.1360	0.000	1	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C[5])(H){1|S<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	121.6060	0.000	1	121.6060	0.000	1	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<2>,1|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<2>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	124.6217	0.712	3	123.0142	1.198	35	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|S<2>,4|C<3>,4|F<1>}	122.1760	0.000	1	123.0142	1.198	35	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	122.9368	0.988	30	123.0142	1.198	35	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,2|C<3>,2|S<2>,4|F<1>}	121.3520	0.000	1	123.0142	1.198	35	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	123.6180	0.000	1	123.6180	0.000	1	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,1|S<2>,3|C<3>,4|F<1>}	124.6517	0.198	4	124.6517	0.039	4	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|Si<4>,1|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|Si<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	120.7465	0.078	2	120.7465	0.006	2	122.9989	1.945	128	123.0617	2.440	129	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.7460	0.000	1	121.7460	0.000	1	121.7460	0.000	1	127.7343	27.570	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5,6])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	130.7285	1.162	2	130.7285	1.350	2	130.7285	1.350	2	127.7343	27.570	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:S[5]-4:C[5a]-3:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	122.0370	0.000	1	121.9845	0.006	2	122.5393	0.850	4	124.6287	8.658	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:S[5]-4:C[5a]-3:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){2|O<1>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|S<4>}	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	121.9320	0.000	1	121.9845	0.006	2	122.5393	0.850	4	124.6287	8.658	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:S[5]-4:C[5a]-3:	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){2|O<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	123.0940	1.146	2	123.0940	1.312	2	122.5393	0.850	4	124.6287	8.658	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:Si[5]-4:C[5a]-3:	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2)	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){3|C<3>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|Si<4>,1|C<3>,1|C<4>}	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,4|C<3>}	122.2200	0.008	2	122.2200	0.000	2	122.2200	0.000	2	124.6287	8.658	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5,6]-4:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	127.0300	0.000	1	127.0300	0.000	1	127.0300	0.000	1	124.6287	8.658	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2){3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	129.3280	0.000	1	129.3280	0.000	1	129.3280	0.000	1	124.6287	8.658	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2){1|N<2>,3|C<3>,6|H<1>}	127.6660	0.055	2	127.6660	0.003	2	127.6660	0.003	2	124.6287	8.658	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2{2|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.3200	0.000	1	129.3200	0.000	1	129.3200	0.000	1	129.3200	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5,5,6]C[5])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5,6]C[5])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2){1|O<1>,1|S<2>,3|C<3>,3|C<4>,4|H<1>}	125.2140	0.000	1	125.2140	0.000	1	125.2140	0.000	1	123.9301	6.038	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	P[5]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|P<4>}	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,6|C<3>}	121.5720	0.658	2	121.5720	0.432	2	121.2673	0.495	3	123.9301	6.038	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	P[5]-4:C[5]-3:C[5a]-3:	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,1|C<4>,1|P<4>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	120.6580	0.000	1	120.6580	0.000	1	121.2673	0.495	3	123.9301	6.038	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[4,5,5]-4:C[5,5a]-3:C[5a]-3:	C[5a](C[5]C[4,5,5]C[5,5a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[4,5,5]C[5,5a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	C[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a]){1|Ni<4>,1|C<4>,1|H<1>,9|C<3>}	126.8590	0.857	2	126.8590	0.734	2	126.8590	0.734	2	123.9301	6.038	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H)	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|N<3>,4|C<3>}	124.3535	0.326	2	124.3535	0.106	2	124.3535	0.106	2	123.9301	6.038	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Cl)(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H){1|Cl<1>,1|O<2>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Cl)(OC){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	131.7910	0.000	1	131.7910	0.000	1	132.6745	1.561	2	132.6745	1.561	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]O)(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H){2|O<2>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]O)(OC){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5]){1|H<1>,2|O<2>,3|C<3>}	133.5580	0.000	1	133.5580	0.000	1	132.6745	1.561	2	132.6745	1.561	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[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>}	129.6630	0.000	1	129.6630	0.000	1	129.6630	0.000	1	127.8084	13.513	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a]N[5a])(S[5a]C[5a,6a])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(C[5a]C[5a]N[5a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O){1|C<4>,1|S<2>,4|C<3>}	125.1795	1.800	2	125.1795	3.239	2	125.1795	3.239	2	127.8084	13.513	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	127.3710	0.124	2	127.3710	0.015	2	127.3710	0.015	2	127.8084	13.513	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a]-3:N[5]-3:C[5]-3:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(ORu)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Ru)(C[5]C[5,6a]O)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|Ru<6>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(ORu){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Ru)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|C<3>}	125.8780	0.004	2	125.8780	0.000	2	125.8780	0.000	2	127.8084	13.513	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5]-3:N[5]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Mn)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]2)(N[5a]C[5a])	C[5](C[5a]C[5a]N[5a])(N[5]N[5]Mn)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Mn)(C[5]N[5]2){1|Mn<6>,1|H<1>,1|N<3>,3|N<2>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]2)(N[5a]C[5a]){2|Mn<6>,1|H<1>,2|N<2>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]N[5]Mn)2{1|N<2>,2|C<3>}	135.9470	0.000	1	135.9470	0.000	1	135.9470	0.000	1	127.8084	13.513	8	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OC){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|N<2>,1|O<2>,5|H<1>}	134.9760	0.000	1	134.9760	0.000	1	134.7120	0.139	2	134.7120	0.139	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5]-4:C[5]-3:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|N<2>,1|O<2>,5|H<1>}	134.4480	0.000	1	134.4480	0.000	1	134.7120	0.139	2	134.7120	0.139	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	129.9330	0.000	1	129.9330	0.000	1	129.9330	0.000	1	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5]-3:S[5]-2:	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5])	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a,5a]C[5a])(N[5]C[5]B)(S[5]C[5])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5]){1|B<4>,8|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2){1|B<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5a]C[5a,5a]C[5a])(N[5]C[5]B)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	125.2450	0.000	1	125.2450	0.000	1	125.2450	0.000	1	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	134.1369	0.639	7	134.1369	0.408	7	134.1369	0.408	7	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5]-3:S[5]-2:	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Cu)(S[5]C[5,6a])	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu){6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Cu)(S[5]C[5,6a]){5|C<3>}	138.0227	4.827	3	138.0227	23.305	3	135.0960	49.798	4	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5]-3:S[5]-2:	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)(S[5]C[5,6a])	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)(S[5]C[5,6a]){1|Cu<4>,5|C<3>}	126.3160	0.000	1	126.3160	0.000	1	135.0960	49.798	4	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,6|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){6|C<3>}	125.0140	0.000	1	127.0307	3.271	3	127.0307	3.271	3	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){6|C<3>}	128.5090	0.000	1	127.0307	3.271	3	127.0307	3.271	3	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){6|C<3>}	127.5690	0.000	1	127.0307	3.271	3	127.0307	3.271	3	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	127.7550	0.338	2	127.7550	0.114	2	127.7550	0.114	2	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])2(NOO)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]C[5])2(NOO){1|H<1>,2|N<2>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	133.7910	0.000	1	133.7910	0.000	1	133.7910	0.000	1	131.8375	21.752	19	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	124.6330	0.000	1	124.6330	0.000	1	124.6330	0.000	1	128.0059	6.488	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(COO){4|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>}	130.2700	0.000	1	129.8645	0.329	2	129.8645	0.329	2	128.0059	6.488	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(COO){4|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>}	129.4590	0.000	1	129.8645	0.329	2	129.8645	0.329	2	128.0059	6.488	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CCN)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CCN){1|N<3>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|N<3>,5|C<3>}	124.2720	0.000	1	124.2720	0.000	1	124.2720	0.000	1	128.0059	6.488	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[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>}	128.2020	0.000	1	128.2020	0.000	1	128.2020	0.000	1	128.0059	6.488	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	130.3890	0.000	1	130.3890	0.000	1	130.3890	0.000	1	128.0059	6.488	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2){2|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,5|C<3>}	128.8160	0.000	1	128.8160	0.000	1	128.8160	0.000	1	128.0059	6.488	7	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-4:S[5]-2:	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(S[5]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(S[5]C[5]){3|C<3>,3|H<1>}	132.1240	0.000	1	132.1240	0.000	1	132.1240	0.000	1	132.1240	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5])	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a])	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a]){1|N<3>,2|H<1>,8|C<3>}	124.2520	0.000	1	124.2520	0.000	1	124.2520	0.000	1	124.2520	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C-3:N[5a]-3:	C[5]-4:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(CC[5a]C[6a])(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(CC[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|N<3>,4|C<3>}	129.2215	0.322	2	129.2215	0.104	2	129.2215	0.104	2	129.2215	0.104	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	134.9490	0.000	1	134.0522	14.049	6	133.0522	15.010	11	131.2497	20.427	15	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	133.8728	4.162	5	134.0522	14.049	6	133.0522	15.010	11	131.2497	20.427	15	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	129.2015	0.926	2	129.2015	0.857	2	133.0522	15.010	11	131.2497	20.427	15	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	134.4755	6.162	2	134.4755	37.976	2	133.0522	15.010	11	131.2497	20.427	15	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Cl)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Cl)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	131.9070	0.000	1	131.9070	0.000	1	133.0522	15.010	11	131.2497	20.427	15	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Zn)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Zn)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|Zn<5>,1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|Zn<5>,2|C<4>,3|C<3>}	126.2930	0.788	4	126.2930	0.621	4	126.2930	0.621	4	131.2497	20.427	15	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){4|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>}	126.5130	0.000	1	126.5130	0.000	1	126.5130	0.000	1	126.7358	1.530	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	126.3675	0.709	2	126.3675	0.503	2	126.3675	0.503	2	126.7358	1.530	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2){1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3){1|B<4>,1|C<4>,4|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|C<4>,3|C<3>}	127.2470	0.000	1	127.2470	0.000	1	127.2470	0.000	1	126.7358	1.530	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]N[5a]C)2(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(CH3)	C[5](C[5a]C[5a]2)(C[5]N[5]C)2	C[5a](C[5a]N[5a]C)2(C[5]C[5]2){1|H<1>,2|C<4>,2|N<2>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]C)2{1|N<2>,1|N<3>,2|C<4>}	128.7580	0.000	1	128.7580	0.000	1	128.7580	0.000	1	126.7358	1.530	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(CH3)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2){1|B<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|C<4>,3|C<3>}	125.1620	0.000	1	125.1620	0.000	1	125.1620	0.000	1	126.7358	1.530	6	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5,5]-3:C[5a]-3:C[5]-4:	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	133.2610	0.000	1	133.2610	0.000	1	133.2610	0.000	1	126.1928	8.549	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	124.1245	0.653	4	124.1245	0.426	4	124.2658	0.420	5	126.1928	8.549	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){1|C<4>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	124.8310	0.000	1	124.8310	0.000	1	124.2658	0.420	5	126.1928	8.549	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])(CH3){2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	125.0730	0.000	1	125.0730	0.000	1	125.0730	0.000	1	126.1928	8.549	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,4|F<1>}	127.3160	0.000	1	127.7375	0.355	2	127.4217	0.477	3	126.1928	8.549	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	128.1590	0.000	1	127.7375	0.355	2	127.4217	0.477	3	126.1928	8.549	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	126.7900	0.000	1	126.7900	0.000	1	127.4217	0.477	3	126.1928	8.549	10	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|C<4>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	128.2300	0.000	1	128.2300	0.000	1	129.9557	2.243	3	129.9557	2.243	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5]-4:N[5]-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]N)(N[5]C[5])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]N)(N[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	130.8185	0.141	2	130.8185	0.020	2	129.9557	2.243	3	129.9557	2.243	3	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5])	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5]){4|C<3>,4|C<4>,4|H<1>}	127.0430	0.000	1	127.0430	0.000	1	127.9205	1.540	2	127.9205	1.540	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5])	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	128.7980	0.000	1	128.7980	0.000	1	127.9205	1.540	2	127.9205	1.540	2	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	0:SP2_SP2_SP2	C[5a]	C[5a]	C[5]	4:3:3:	3:3:1:	3:4:3:	N[5a]-4:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5]-3:	C[5a](N[5a]C[5a]Zn2)(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]Zn)	C[5a](N[5a]C[5a]Zn2)(C[5]C[5]N[5])(C[5a]C[5a]H){2|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|Zn<4>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]Zn){1|Zn<4>,2|C<3>,5|H<1>}	131.2860	0.000	1	131.2860	0.000	1	131.2860	0.000	1	131.2860	0.000	1	126.3802	15.827	887	129.5468	43.475	1411
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5,5a]-3:C[5,5]-3:	C[5,5a](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a])	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[5,5a](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]C[6a]){8|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]){8|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>}	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:B[5]-4:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC){1|H<1>,4|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	111.3902	12.299	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5,6]	3:3:2:	3:4:3:	3:3:3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,5a]-3:B[5]-4:C[5a]-3:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a]){2|Br<1>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2){5|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|Br<1>,2|H<1>,3|C<3>}	113.9820	0.000	1	113.9820	0.000	1	114.0875	0.022	2	114.0875	0.022	2	111.3902	12.299	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5,6]	3:3:2:	3:4:3:	3:3:3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,5a]-3:B[5]-4:C[5a]-3:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]C[6a]2)(C[5a]C[5a]H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]C[6a]2)(C[5a]C[5a]H){1|Si<4>,6|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	114.1930	0.000	1	114.1930	0.000	1	114.0875	0.022	2	114.0875	0.022	2	111.3902	12.299	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5,6]-3:C[5,5a]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5])	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	106.8300	0.000	1	106.8300	0.000	1	106.8300	0.000	1	106.8300	0.000	1	111.3902	12.299	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5,6]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5,6]-4:C[6]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6])	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6]){1|N<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	111.3902	12.299	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:2:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]Se[5])(S[5a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]Si)(H)	C[5,5a](C[5,5a]C[5,5a]Se[5])(S[5a]C[5,5a])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5]){1|Si<4>,1|H<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]Si)(H){2|C<3>}	117.0300	0.684	2	117.0300	0.469	2	117.0300	0.469	2	117.0300	0.469	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:2:	3:4:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:O[5]-2:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5a](C[5,5a]C[5a,6a]O[5])(S[5a]C[5a,6a])(C[5]C[5,5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(O[5]C[5,5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O)	C[5,5a](C[5,5a]C[5a,6a]O[5])(S[5a]C[5a,6a])(C[5]C[5,5]O){1|C<4>,1|O<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]O[5]2)(O){3|C<3>,3|C<4>}	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	110.1180	0.000	1	110.1180	0.000	1	110.1180	0.000	1	109.1657	0.743	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,2|O<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(O){1|C<4>,2|C<3>}	108.6895	0.354	2	108.6895	0.126	2	108.6895	0.126	2	109.1657	0.743	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:2:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(S[5a]C[5a,5a])(C[5]C[5,6a]C)	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(S[5a]C[5a,5a])(C[5]C[5,6a]C){4|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|C<2>,1|H<1>,5|C<3>}	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>}	111.2330	0.000	2	111.2330	0.000	2	111.2330	0.000	2	111.2330	0.000	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){1|C<4>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO){3|C<3>}	110.6370	0.000	1	110.9265	0.168	2	110.9265	0.168	2	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C){1|H<1>,3|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO){3|C<3>}	111.2160	0.000	1	110.9265	0.168	2	110.9265	0.168	2	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2){2|C<3>,4|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H){1|S<2>,2|H<1>,4|C<3>}	109.6297	0.503	26	109.6297	0.253	26	109.6297	0.253	26	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(CCC)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(CCC){1|C<4>,2|C<3>}	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	109.0700	0.000	1	108.7403	0.092	3	108.7542	0.048	5	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	108.5755	0.142	2	108.7403	0.092	3	108.7542	0.048	5	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|O<1>,2|C<3>,3|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	108.8380	0.000	1	108.7750	0.008	2	108.7542	0.048	5	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|O<1>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	108.7120	0.000	1	108.7750	0.008	2	108.7542	0.048	5	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C){4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH){3|C<3>}	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:C-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH){1|O<1>,2|C<3>}	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2){1|C<4>,1|O<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	109.5676	0.535	37	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:3:	3:4:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|F<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]FF)(O){1|O<1>,2|C<3>}	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:4:	3:3:1:	C[5,5a]-3:N[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a])(C[5]N[5]O){1|C<4>,4|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,2|H<1>}	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	115.0415	5.150	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:4:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5,5a]-3:S[5]-4:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5,5a]C[5,5a]S[5])(C[5,5a]S[5a]C[5])(S[5]C[5]OO)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]C)(H)	C[5,5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,2|O<1>}	C[5,5a](C[5,5a]C[5,5a]S[5])(C[5,5a]S[5a]C[5])(S[5]C[5]OO){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]C)(H){2|C<3>,2|O<1>}	115.7025	0.609	2	115.7025	0.371	2	115.7025	0.371	2	115.0415	5.150	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:4:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]S[5])(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]S[5])(H){1|S<4>,2|O<1>,3|C<3>}	116.1010	0.000	1	116.1010	0.000	1	116.1243	0.050	3	115.0415	5.150	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:4:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]S[5])(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]S[5])(H){1|S<2>,2|O<1>,3|C<3>}	116.3580	0.000	1	116.3580	0.000	1	116.1243	0.050	3	115.0415	5.150	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:3:4:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]H)(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(S[5]C[5]OO){1|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]H)(H){2|C<3>,2|O<1>}	115.9140	0.000	1	115.9140	0.000	1	116.1243	0.050	3	115.0415	5.150	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:4:3:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-3:S-1:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]S)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]2C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(S)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]S){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]2C[5])(C[5a]C[5a]H){1|H<1>,1|S<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(S){4|C<3>}	113.2960	0.000	1	113.2960	0.000	1	113.2960	0.000	1	111.8240	1.636	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:4:3:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O){2|C<3>,3|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.8240	1.636	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:4:3:	3:3:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(S[5a]C[5a,6a])(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(S[5a]C[5a,6a])(C[5]C[5]H){1|C<4>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H){4|C<3>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	111.8240	1.636	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:2:3:	3:4:3:	3:4:1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CO)(O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CO)(O){1|H<1>,3|C<3>}	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]N[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]N[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]N[5a]C[5])(S[5a]C[5a]){1|Si<4>,1|C<3>,1|N<2>,1|O<1>}	C[5](C[5,5a]C[5,5a]N[5a])2(O){2|C<3>,2|S<2>}	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(N[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]P)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(N[5a]N[5a]){1|H<1>,1|P<4>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]P){1|O<1>,2|C<3>,2|H<1>}	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>}	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	110.5746	1.299	5	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]Br)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]Br){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O){1|H<1>,1|S<2>,3|C<3>}	110.4700	1.977	2	110.4700	3.909	2	110.7843	1.439	4	110.5746	1.299	5	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]S[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])2(O){4|C<3>}	111.0985	0.111	2	111.0985	0.012	2	110.7843	1.439	4	110.5746	1.299	5	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	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>}	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]S[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])2(CCC){4|C<3>}	110.9965	0.493	2	110.9965	0.243	2	110.9965	0.243	2	110.9992	0.268	13	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5,5a])	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5,5a]){2|S<2>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,6|C<3>}	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>}	111.4390	0.099	2	111.4390	0.010	2	111.4390	0.010	2	110.9992	0.268	13	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|H<1>,4|C<3>}	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>}	110.9940	0.000	1	110.9940	0.000	1	110.5980	0.314	2	110.9992	0.268	13	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a]){2|C<3>,2|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	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>}	110.2020	0.000	1	110.2020	0.000	1	110.5980	0.314	2	110.9992	0.268	13	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])(S[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5a]C[5a]H){1|H<1>,4|C<3>}	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>}	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	110.9992	0.268	13	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5a,5a])	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5a,5a]){3|C<3>,3|S<2>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){1|H<1>,5|C<3>}	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>}	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	110.9992	0.268	13	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a]){6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){2|H<1>,5|C<3>}	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>}	110.8750	0.000	2	110.7324	0.044	5	110.7324	0.044	5	110.9992	0.268	13	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a]){6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5]){2|H<1>,5|C<3>}	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>}	110.6373	0.232	3	110.7324	0.044	5	110.7324	0.044	5	110.9992	0.268	13	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5a]-3:S[5]-4:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a]S[5])(C[5]C[6a]C[5])(S[5a]C[5a])	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C[6a])(S[5]C[5]OO)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a]S[5])(C[5]C[6a]C[5])(S[5a]C[5a]){2|O<1>,5|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C[6a])(S[5]C[5]OO){5|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	116.7575	0.145	2	116.7575	0.021	2	116.7575	0.021	2	117.7620	1.616	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,5a]-3:C[5,5a]-3:P[5]-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5a,5a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,5a])	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]S[5a]C[5])(P[5]C[6a]C[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5a,5a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,5a]){1|O<1>,1|S<2>,5|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]S[5a]C[5])(P[5]C[6a]C[5]O){6|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	117.7620	1.616	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(P[5]C[6a]C[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a]){1|O<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(P[5]C[6a]C[5]O){1|H<1>,6|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	117.7620	1.616	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a]){2|C<4>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(Si[5]C[5]CC){1|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<4>,5|C<3>}	119.3860	0.017	2	119.3860	0.000	2	119.3860	0.000	2	117.7620	1.616	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:2:	3:2:2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a]-3:S[5]-2:S-2:	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(S[5]S[5])	C[5](C[5,5a]C[5,5a]C[5a])(S[5]S[5])(SW)	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S){1|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(S[5]S[5]){1|C<4>,1|H<1>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(S[5]S[5])(SW){1|C<3>,1|C<4>,1|S<2>}	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:2:	3:3:1:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H)	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5])	C[5](C[5,5a]C[5,5a]2)(C[5]Se[5]Si)(H)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5,5a]C[5,5a]2)(C[5]Se[5]Si)(H){1|S<2>,2|C<3>}	112.7205	0.397	2	112.7205	0.157	2	112.7205	0.157	2	112.7205	0.157	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2){2|C<3>,4|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|S<2>,2|C<3>}	107.5243	0.394	26	107.5243	0.155	26	107.5243	0.155	26	107.5541	0.159	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	107.5541	0.159	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O){1|S<2>,3|C<3>}	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	107.5541	0.159	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){1|C<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	107.8540	0.000	1	107.9070	0.006	2	107.9070	0.006	2	107.9673	0.014	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C){1|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	107.9600	0.000	1	107.9070	0.006	2	107.9070	0.006	2	107.9673	0.014	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C){4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH){1|S<2>,3|C<3>}	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	107.9673	0.014	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|F<1>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	108.6077	0.778	8	108.7862	0.522	11	108.7862	0.522	11	111.1736	16.646	18	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	109.2620	0.165	3	108.7862	0.522	11	108.7862	0.522	11	111.1736	16.646	18	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5a,5a]-3:C[5,5a]-3:N[5]-2:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H)	C[5,5a](N[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5a]C[5])(N[5]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]C)(H)	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H){5|C<3>}	C[5,5a](N[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5a]C[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]C)(H){1|N<3>,2|C<3>}	104.9660	0.000	1	104.9660	0.000	1	104.9660	0.000	1	111.1736	16.646	18	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H){1|C<4>,2|C<3>}	116.4102	0.386	4	116.4102	0.149	4	116.5852	0.165	6	111.1736	16.646	18	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	116.9350	0.089	2	116.9350	0.008	2	116.5852	0.165	6	111.1736	16.646	18	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(CC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])2(CC){2|C<3>,2|H<1>,2|S<2>}	109.1600	0.802	2	109.1600	0.643	2	109.1600	0.643	2	108.6663	1.053	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]N)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]N)(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	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>}	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	108.6663	1.053	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	108.0175	0.194	4	107.8775	3.072	14	108.2856	2.531	20	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	107.0060	5.261	2	107.8775	3.072	14	108.2856	2.531	20	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	108.0254	1.217	8	107.8775	3.072	14	108.2856	2.531	20	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(CCH)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCH){2|C<3>,2|H<1>,2|S<2>}	109.3145	0.133	4	109.3145	0.018	4	108.2856	2.531	20	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H){2|C<3>,2|H<1>,2|S<2>}	109.0840	0.505	2	109.0840	0.255	2	108.2856	2.531	20	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,5a]-3:C[6,6]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2){2|C<3>,2|S<2>,4|C<4>,4|H<1>}	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,2|H<1>,3|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>}	108.7330	0.000	1	108.4563	0.057	3	108.4563	0.057	3	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){3|C<3>,3|H<1>}	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>}	108.3180	0.000	2	108.4563	0.057	3	108.4563	0.057	3	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	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>}	108.6160	0.000	2	108.4363	0.097	3	108.4363	0.097	3	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	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>}	108.0770	0.000	1	108.4363	0.097	3	108.4363	0.097	3	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:O[5]-2:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5]){1|O<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	108.3484	1.806	28	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-2:N-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]N)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]N)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5])(NOO)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]N){2|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]N){2|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5])(NOO){1|C<3>,1|N<2>,2|N<3>}	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	110.7675	0.179	2	110.7675	0.032	2	110.1305	0.641	4	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]S[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]S[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O){1|H<1>,1|S<2>,3|C<3>}	109.4935	0.517	2	109.4935	0.267	2	110.1305	0.641	4	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H){4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){1|O<1>,2|H<1>,5|C<3>}	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>}	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a,6]-3:C[5]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C){1|H<1>,1|O<1>,4|C<3>}	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>}	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	108.4630	0.000	1	108.4315	0.494	10	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	108.5035	0.064	2	108.4315	0.494	10	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	108.3245	0.911	6	108.4315	0.494	10	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	108.8980	0.000	1	108.4315	0.494	10	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	108.2620	0.561	7	108.2668	0.240	9	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	108.2835	0.159	2	108.2668	0.240	9	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	107.2630	0.000	1	107.8372	0.186	4	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	107.9140	0.199	2	107.8372	0.186	4	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	108.2580	0.000	1	107.8372	0.186	4	108.2637	0.361	23	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){4|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){4|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	109.5385	0.056	2	109.5385	0.003	2	109.5385	0.003	2	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	107.5890	0.000	1	107.5890	0.000	1	108.9233	0.518	22	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	108.5375	0.252	2	108.5375	0.064	2	108.9233	0.518	22	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	108.1635	0.426	2	108.1635	0.182	2	108.9233	0.518	22	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	109.2025	0.025	2	109.2025	0.001	2	108.9233	0.518	22	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	109.0458	0.714	10	109.0107	0.439	12	108.9233	0.518	22	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	108.8355	0.398	2	109.0107	0.439	12	108.9233	0.518	22	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	109.9880	0.211	2	109.9880	0.044	2	108.9233	0.518	22	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	108.8110	0.000	1	108.8110	0.000	1	108.9233	0.518	22	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O){5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|O<1>,5|C<3>}	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>}	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N){1|H<1>,1|O<1>,4|C<3>}	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>}	107.5258	0.277	5	107.5258	0.077	5	107.5258	0.077	5	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	108.8560	0.000	1	109.0495	0.075	2	109.0495	0.075	2	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|O<1>,3|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|O<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	109.2430	0.000	1	109.0495	0.075	2	109.0495	0.075	2	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	N[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5a])(C[5,5a]N[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O){4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5a])(C[5,5a]N[5a]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O){1|C<4>,5|C<3>}	112.3400	0.000	1	112.3400	0.000	1	112.3400	0.000	1	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H){4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,3|H<1>,4|C<3>}	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>}	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	109.8320	0.000	1	109.7090	0.030	2	109.7090	0.030	2	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|O<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	109.5860	0.000	1	109.7090	0.030	2	109.7090	0.030	2	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,4|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>}	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,4|C<3>}	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>}	109.3645	0.165	2	109.3645	0.027	2	109.0047	0.402	3	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|O<2>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	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>}	108.2850	0.000	1	108.2850	0.000	1	109.0047	0.402	3	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C){2|C<3>,2|O<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,3|C<3>}	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	108.8483	1.091	70	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C){1|C<2>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|H<1>,2|C<2>,5|C<3>}	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>}	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.6273	0.265	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<2>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C){1|C<2>,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])(CC){1|H<1>,5|C<3>}	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	109.6273	0.265	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:S-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]S)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S){1|H<1>,1|S<2>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]S){1|H<1>,1|S<2>,4|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>}	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	109.6273	0.265	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H){3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a]){1|H<1>,1|S<2>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	111.3585	1.323	2	111.3585	1.750	2	111.3585	1.750	2	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	109.1930	0.000	1	109.1930	0.000	1	109.4493	0.218	12	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	108.2700	0.000	1	108.2700	0.000	1	109.4493	0.218	12	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	109.5950	0.000	1	109.5929	0.082	10	109.4493	0.218	12	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	109.5927	0.304	9	109.5929	0.082	10	109.4493	0.218	12	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	108.4720	1.052	2	109.2375	0.546	12	109.2811	0.474	14	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	109.2488	0.458	9	109.2375	0.546	12	109.2811	0.474	14	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	110.6670	0.000	1	109.2375	0.546	12	109.2811	0.474	14	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	109.5190	0.000	1	109.5430	0.001	2	109.2811	0.474	14	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	109.5670	0.000	1	109.5430	0.001	2	109.2811	0.474	14	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])(N[5a]C[5a]Zn)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])(N[5a]C[5a]Zn){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|Zn<4>,1|H<1>,4|C<3>}	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>}	112.5020	0.109	2	112.5020	0.012	2	112.5020	0.012	2	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[5a,5a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5a])(N[5a]C[5a,5a]Zn)	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5a])(N[5a]C[5a,5a]Zn){1|N<3>,5|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|Zn<5>,1|H<1>,6|C<3>}	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>}	114.2705	0.473	2	114.2705	0.224	2	114.2705	0.224	2	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5]){6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){8|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){2|H<1>,6|C<3>}	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>}	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5])	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5]){1|S<2>,2|O<1>,5|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|S<2>,2|O<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|H<1>,6|C<3>}	101.4440	0.000	1	101.4440	0.000	1	101.4440	0.000	1	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C){2|C<3>,2|O<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	115.1390	0.000	1	115.1390	0.000	1	115.1390	0.000	1	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,5a]C[5])(C[5a]C[5a,5a]C[6a])	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|N<3>,6|C<3>}	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,5a]C[5])(C[5a]C[5a,5a]C[6a]){1|C<4>,1|N<3>,6|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C){6|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a]){1|H<1>,1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|H<1>,1|S<2>,6|C<3>}	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>}	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]B[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|B<3>,1|F<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]B[5]){1|H<1>,2|O<2>,5|C<3>}	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>}	110.7080	0.000	1	110.7080	0.000	1	111.4023	2.900	7	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	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>}	110.7290	0.264	2	111.5180	3.367	6	111.4023	2.900	7	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	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>}	111.9125	2.228	4	111.5180	3.367	6	111.4023	2.900	7	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5]){6|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	109.9876	4.691	47	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.7895	0.818	2	114.7895	0.669	2	114.8464	0.207	7	113.8761	2.621	10	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	114.9880	0.000	1	114.9880	0.000	1	114.8464	0.207	7	113.8761	2.621	10	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	114.6345	0.040	2	114.6345	0.002	2	114.8464	0.207	7	113.8761	2.621	10	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]Ni)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]Ni)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){1|Ni<4>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	115.0445	0.613	2	115.0445	0.376	2	114.8464	0.207	7	113.8761	2.621	10	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	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>}	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	113.8761	2.621	10	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]Si)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	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>}	111.8280	0.314	2	111.8280	0.099	2	111.8280	0.099	2	113.8761	2.621	10	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O){1|O<1>,1|S<2>,2|C<3>,2|F<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]O){1|O<1>,1|S<2>,2|C<3>,2|F<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]FF)(O){1|O<1>,1|S<2>,2|C<3>}	111.0331	0.619	7	111.0331	0.383	7	111.0331	0.383	7	109.3236	3.479	14	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,2|C<3>}	107.4905	0.517	2	107.4905	0.267	2	107.6141	0.336	7	109.3236	3.479	14	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]Ni)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){1|Ni<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]Ni)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>}	107.1920	0.803	2	107.1920	0.645	2	107.6141	0.336	7	109.3236	3.479	14	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,2|C<3>}	108.4390	0.000	1	108.4390	0.000	1	107.6141	0.336	7	109.3236	3.479	14	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|H<1>,1|N<3>,2|C<3>}	107.7475	0.039	2	107.7475	0.002	2	107.6141	0.336	7	109.3236	3.479	14	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]O[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]O[5]HH){1|C<3>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	108.2700	0.173	2	108.2700	0.030	2	108.2700	0.030	2	109.0083	0.743	4	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]O[5]HH)	C[5](C[5,5a]C[5a,5a]C[5,5a])(O[5]C[5])(O)	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(O[5]C[5])(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	109.0083	0.743	4	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(C[5]O[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(C[5]O[5]CC){1|O<1>,2|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|C<4>}	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	109.0083	0.743	4	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:O[5]-2:N-2:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]O[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(O[5]C[5])(NC)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N){1|C<3>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]O[5]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(O[5]C[5])(NC){1|C<4>,2|C<3>,2|H<1>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	110.5420	0.736	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH)	C[5](C[5,5a]C[5a,5a]C[5,5a])(N[5]C[6a]C[5])(O)	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH){1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	110.5420	0.736	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){2|C<3>,2|O<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,2|C<3>,2|C<4>}	110.0655	0.195	4	110.0655	0.038	4	110.0655	0.038	4	110.5420	0.736	6	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:Si[5]-4:	C[5,5a]-3:C[5]-3:C-2:	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Si)(Si[5]C[5]CC)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC)	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C){1|Si<4>,1|S<2>,2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Si)(Si[5]C[5]CC){1|Si<4>,1|C<2>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC){1|Si<4>,1|C<3>,1|S<2>,2|C<4>}	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|C<4>}	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	108.1345	0.001	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH){4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	108.1345	0.001	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	114.1700	0.066	2	114.1700	0.004	2	114.1700	0.004	2	113.1773	2.958	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	113.1773	2.958	3	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	112.8680	0.000	1	112.8680	0.000	1	112.4930	0.281	2	110.9001	2.380	8	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]S)(C[5]C[5]O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]S)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|S<4>,2|C<4>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	112.1180	0.000	1	112.1180	0.000	1	112.4930	0.281	2	110.9001	2.380	8	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	111.9305	0.081	2	111.9305	0.007	2	111.9305	0.007	2	110.9001	2.380	8	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<2>,2|C<3>,5|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	110.9001	2.380	8	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(O){1|N<3>,2|C<3>,2|C<4>}	109.0580	0.000	1	109.0580	0.000	1	109.1560	0.023	3	110.9001	2.380	8	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|S<4>,2|C<3>,5|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	109.2050	0.180	2	109.2050	0.032	2	109.1560	0.023	3	110.9001	2.380	8	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:N-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS){1|N<3>,2|H<1>,4|C<3>}	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:2:	3:2:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5,6]-4:N[5a]-2:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5,6]C[6]2O[5])(N[5a]S[5a])	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5,6])(O)	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O){2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5,6]C[6]2O[5])(N[5a]S[5a]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5,6])(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:2:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a]){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:2:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,5|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,4|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]I)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|I<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5]){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]I)(H){1|C<4>,4|C<3>}	111.6840	0.802	2	111.6840	0.643	2	111.6840	0.643	2	111.6840	0.643	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	107.8000	0.176	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,6|C<3>}	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.8000	0.176	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5,5a]-3:C[5,6]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5]){1|C<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3){2|C<3>,2|C<4>,4|H<1>}	112.3150	0.000	1	112.3150	0.000	1	112.3150	0.000	1	110.8735	4.156	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	110.8735	4.156	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O){2|H<1>,3|C<3>,3|C<4>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	109.5550	0.094	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,5a]-3:C[5,6]-4:O-1:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O){2|C<3>,3|C<4>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.5550	0.094	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	C[5]	3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[4,5,5]-4:C[5,5a]-3:C[5a]-3:	C[4,5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,5a]C[4,5,5]C[5a])(C[5]C[4,5,5]C[5a])(N[5a]C[5a]Ni)	C[5,5a](C[4,5,5]C[4,5,5]2C[5])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H)	C[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])	C[5,5a](C[5,5a]C[4,5,5]C[5a])(C[5]C[4,5,5]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5a](C[4,5,5]C[4,5,5]2C[5])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|Ni<4>,1|C<4>,7|C<3>}	C[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a]){1|Ni<4>,1|C<4>,1|H<1>,9|C<3>}	113.9920	0.041	2	113.9920	0.002	2	113.9920	0.002	2	113.9920	0.002	2	109.9172	6.350	350	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	142.0980	0.000	1	142.0980	0.000	1	142.0980	0.000	1	142.3735	0.152	2	141.7574	1.071	7	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:S-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[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>}	142.6490	0.000	1	142.6490	0.000	1	142.6490	0.000	1	142.3735	0.152	2	141.7574	1.071	7	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,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>,2|C<4>,7|C<3>}	141.7020	0.000	1	141.7020	0.000	1	141.3427	1.548	4	141.3427	1.548	4	141.7574	1.071	7	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	141.8860	0.000	1	141.2230	2.235	3	141.3427	1.548	4	141.3427	1.548	4	141.7574	1.071	7	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	140.8915	1.952	2	141.2230	2.235	3	141.3427	1.548	4	141.3427	1.548	4	141.7574	1.071	7	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[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>}	142.1840	0.000	1	142.1840	0.000	1	142.1840	0.000	1	142.1840	0.000	1	141.7574	1.071	7	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5,5]-3:	C[5,5a](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]C[6a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]C[5,5])(C[6a]C[6a]2)	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[5,5a](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]C[6a]){8|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]C[5,5])(C[6a]C[6a]2){2|H<1>,8|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>}	143.6430	0.000	1	143.6430	0.000	1	143.6430	0.000	1	143.6430	0.000	1	143.6430	0.000	1	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:2:3:	3:2:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-2:N-3:	C[5,5a]-3:N[5]-2:N-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]N)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(NOO)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5])(NOO)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]N){2|N<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(NOO){1|C<3>,1|N<2>,2|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5])(NOO){1|C<3>,1|N<2>,2|N<3>}	151.1800	0.000	1	151.1800	0.000	1	151.1800	0.000	1	151.1800	0.000	1	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	142.3810	0.000	1	142.3810	0.000	1	142.4317	0.409	7	142.4678	0.234	13	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	142.2122	0.472	5	142.2122	0.223	5	142.4317	0.409	7	142.4678	0.234	13	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	143.5800	0.000	1	143.5800	0.000	1	142.4317	0.409	7	142.4678	0.234	13	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	142.0560	0.000	1	142.4782	0.075	5	142.5100	0.066	6	142.4678	0.234	13	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	142.5838	0.162	4	142.4782	0.075	5	142.5100	0.066	6	142.4678	0.234	13	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	142.6690	0.000	1	142.6690	0.000	1	142.5100	0.066	6	142.4678	0.234	13	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	142.3005	0.340	2	142.3005	0.116	2	142.1480	0.214	5	142.3653	1.083	10	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	142.3710	0.175	2	142.0463	0.332	3	142.1480	0.214	5	142.3653	1.083	10	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	141.3970	0.000	1	142.0463	0.332	3	142.1480	0.214	5	142.3653	1.083	10	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	142.3520	0.000	1	141.2555	2.405	2	142.5826	2.104	5	142.3653	1.083	10	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	140.1590	0.000	1	141.2555	2.405	2	142.5826	2.104	5	142.3653	1.083	10	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	143.1940	0.000	1	143.1940	0.000	1	142.5826	2.104	5	142.3653	1.083	10	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,5a]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5]-3:O-1:	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	143.6040	0.170	2	143.6040	0.029	2	142.5826	2.104	5	142.3653	1.083	10	142.7881	3.743	24	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|Hf<12>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|Hf<12>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6]){2|C<4>,3|H<1>,4|C<3>}	121.0030	0.000	1	121.0030	0.000	1	121.0030	0.000	1	121.0030	0.000	1	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.0102	0.217	4	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	107.8560	0.000	1	107.6415	0.092	2	107.6415	0.092	2	108.0102	0.217	4	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	107.4270	0.000	1	107.6415	0.092	2	107.6415	0.092	2	108.0102	0.217	4	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5a,6,6]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5a,6,6]C[5,6,6]C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.0102	0.217	4	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	108.0968	0.049	4	108.0968	0.002	4	107.6159	0.311	19	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	106.9910	0.000	1	106.9910	0.000	1	107.6159	0.311	19	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2){5|C<3>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	107.5960	0.000	1	107.6550	0.015	3	107.6159	0.311	19	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	107.6845	0.155	2	107.6550	0.015	3	107.6159	0.311	19	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	106.0710	0.000	1	107.2190	0.400	7	107.6159	0.311	19	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	107.4103	0.415	6	107.2190	0.400	7	107.6159	0.311	19	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	107.9567	0.299	4	107.9567	0.090	4	107.6159	0.311	19	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]C[3x6]C){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.1965	0.228	2	109.1965	0.052	2	109.1965	0.052	2	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|H<1>,1|P<4>,2|C<4>,6|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2H){1|P<4>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	107.4190	0.000	1	107.4190	0.000	1	107.4190	0.000	1	107.7507	0.490	22	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Ru<5>,4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<4>,5|C<3>}	108.2152	0.164	4	108.2152	0.027	4	108.2152	0.027	4	108.2152	0.027	4	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	107.9175	0.209	2	107.9175	0.044	2	107.9175	0.044	2	107.9900	0.031	4	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	108.0625	0.166	2	108.0625	0.028	2	108.0625	0.028	2	107.9900	0.031	4	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	108.2649	5.158	36	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6]	3:3:3:	4:3:3:	3:4:3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,5,6,6]C[5a,6,6a])(C[5,6]C[5,6]C[6,6])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6])	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,5,6,6]C[5a,6,6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6]){2|C<4>,9|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2)	C[5,6,6a](C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2){4|C<4>,6|C<3>}	107.9040	0.000	1	107.9040	0.000	1	107.4770	1.229	4	107.5750	0.606	8	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2){4|C<4>,6|C<3>}	108.0885	0.186	2	108.0885	0.035	2	107.4770	1.229	4	107.5750	0.606	8	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Os<5>,2|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	105.8270	0.000	1	105.8270	0.000	1	107.4770	1.229	4	107.5750	0.606	8	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]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[5,6,6a])2(C[5,6,6]C[5,5,3x6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2){4|C<4>,6|C<3>}	108.0940	0.000	1	108.0940	0.000	1	107.6740	0.237	3	107.5750	0.606	8	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]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[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	107.1400	0.000	1	107.1400	0.000	1	107.6740	0.237	3	107.5750	0.606	8	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]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[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|Os<5>,2|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|C<4>,1|P<4>,7|C<3>}	107.7880	0.000	1	107.7880	0.000	1	107.6740	0.237	3	107.5750	0.606	8	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,5|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|C<4>,1|P<4>,7|C<3>}	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	107.5750	0.606	8	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	108.4265	0.330	2	108.4265	0.109	2	108.1105	0.169	4	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	107.7930	0.000	1	107.7930	0.000	1	108.1105	0.169	4	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){1|Si<4>,1|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si){1|C<4>,8|C<3>}	107.7960	0.000	1	107.7960	0.000	1	108.1105	0.169	4	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-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[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|C<4>,2|O<2>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5a,6a,6a]C[5a,6a,6a]2){4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	107.1773	0.617	4	107.1773	0.381	4	107.1773	0.381	4	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	108.0195	0.323	2	107.9417	0.070	3	107.7987	0.071	7	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	107.7860	0.000	1	107.9417	0.070	3	107.7987	0.071	7	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	107.4980	0.054	2	107.4980	0.003	2	107.7987	0.071	7	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	107.8850	0.167	2	107.8850	0.028	2	107.7987	0.071	7	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]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[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	107.6210	0.000	1	107.6210	0.000	1	108.1950	0.659	2	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]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[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5]){2|N<3>,8|C<3>}	108.7690	0.000	1	108.7690	0.000	1	108.1950	0.659	2	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.0130	0.000	1	109.0130	0.000	1	108.1223	0.609	3	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,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[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	107.7940	0.000	1	107.7940	0.000	1	108.1223	0.609	3	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	107.5600	0.000	1	107.5600	0.000	1	108.1223	0.609	3	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	109.3125	0.223	2	109.3125	0.050	2	109.3125	0.050	2	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,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[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,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>}	107.8555	0.400	2	107.8555	0.160	2	107.8555	0.160	2	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,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[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-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[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6](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[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	C[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>}	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,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[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-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[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6](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[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,6|C<3>}	C[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>}	106.9050	0.000	1	106.9050	0.000	1	106.9050	0.000	1	107.8569	0.491	27	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2){4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	107.1570	0.092	2	107.1570	0.008	2	108.1660	3.058	3	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6a,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	110.1840	0.000	1	110.1840	0.000	1	108.1660	3.058	3	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	107.5230	0.000	1	107.5230	0.000	1	107.1029	0.172	7	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6]){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	106.9955	0.812	2	106.9955	0.660	2	107.1029	0.172	7	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	107.1520	0.000	1	106.9583	0.028	3	107.1029	0.172	7	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	106.8615	0.005	2	106.9583	0.028	3	107.1029	0.172	7	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])2{4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	107.3310	0.000	1	107.3310	0.000	1	107.1029	0.172	7	107.4871	0.889	12	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,5|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.9440	0.670	3	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])2(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	108.7210	0.000	1	108.7210	0.000	1	108.3715	0.244	2	107.9440	0.670	3	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6a,6a](C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	108.0220	0.000	1	108.0220	0.000	1	108.3715	0.244	2	107.9440	0.670	3	107.7283	0.604	50	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6]){7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	103.6535	2.606	2	103.6535	6.790	2	103.2980	3.774	3	104.4267	7.612	4	105.5994	12.585	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6]){7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	102.5870	0.000	1	102.5870	0.000	1	103.2980	3.774	3	104.4267	7.612	4	105.5994	12.585	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6,6a]C[5a,6,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]){7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6,6a]C[5a,6,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	104.4267	7.612	4	105.5994	12.585	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[6,6]){9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	105.5994	12.585	5	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6])	C[5,6,6](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[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[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>}	108.0395	0.190	4	108.0395	0.036	4	108.0395	0.036	4	108.0395	0.036	4	109.1337	1.521	8	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H)	C[5,6,6](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[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[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>}	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	110.2280	0.320	4	109.1337	1.521	8	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|Hf<12>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6]){2|C<4>,3|H<1>,4|C<3>}	109.4220	0.000	1	109.4220	0.000	1	110.2207	0.480	3	110.2280	0.320	4	109.1337	1.521	8	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.6200	0.052	2	110.6200	0.003	2	110.2207	0.480	3	110.2280	0.320	4	109.1337	1.521	8	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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:O[5]-2:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[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>}	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	109.4245	1.070	2	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[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>}	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	109.4245	1.070	2	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:3:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a]-3:N[6]-2:C[5]-3:	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	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[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br)	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	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[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br){5|C<3>}	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6](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[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[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>}	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	111.4488	1.321	21	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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[5,6a]-3: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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	110.4142	0.225	6	110.4142	0.051	6	110.4142	0.051	6	111.4488	1.321	21	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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,6a]-3:C[5]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5,6](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[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[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>}	111.3793	0.261	3	111.5793	0.079	9	111.5793	0.079	9	111.4488	1.321	21	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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,6a]-3:C[5]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5,6](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[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[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>}	111.6793	0.253	6	111.5793	0.079	9	111.5793	0.079	9	111.4488	1.321	21	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6](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[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[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>}	112.2807	0.887	3	112.2807	0.787	3	112.2807	0.787	3	111.4488	1.321	21	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[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>}	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	111.4488	1.321	21	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5])	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[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[5a,6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	114.7210	0.000	1	114.7210	0.000	1	114.7210	0.000	1	111.4488	1.321	21	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:P[5]-4:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(P[5]N[5]CC)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(P[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[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>}	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[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>}	114.0500	0.000	1	114.0500	0.000	1	113.1405	1.654	2	113.1405	1.654	2	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,2|C<3>,3|H<1>}	C[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>}	112.2310	0.000	1	112.2310	0.000	1	113.1405	1.654	2	113.1405	1.654	2	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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[5,6]-4:C[6a]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[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>}	112.2740	0.000	1	112.2740	0.000	1	111.5786	0.192	8	111.5786	0.192	8	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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[5,6]-4:C[6a]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[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>}	111.3755	0.321	4	111.5378	0.130	6	111.5786	0.192	8	111.5786	0.192	8	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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[5,6]-4:C[6a]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[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>}	111.8625	0.152	2	111.5378	0.130	6	111.5786	0.192	8	111.5786	0.192	8	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	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[5,6]-4:C[6a]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]O){2|C<4>,2|H<1>,6|C<3>}	C[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>}	111.1280	0.000	1	111.1280	0.000	1	111.5786	0.192	8	111.5786	0.192	8	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	111.2890	0.000	1	111.2890	0.000	1	110.3605	0.276	6	110.3605	0.276	6	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[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>}	110.1273	0.316	4	110.1273	0.100	4	110.3605	0.276	6	110.3605	0.276	6	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	C[5,6](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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[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>}	110.3650	0.000	1	110.3650	0.000	1	110.3605	0.276	6	110.3605	0.276	6	111.3271	1.360	41	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:I[5,5]-3:	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[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2)	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[5,5,6a](C[5,6a]C[6a]C[5])2(I[5,5]O[5]2){1|C<3>,2|H<1>,2|O<1>}	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>}	114.8520	0.894	2	114.8520	0.799	2	114.8520	0.799	2	114.8520	0.799	2	114.3605	0.592	4	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	Se[5,5]-4:C[5,6a]-3:C[5,6a]-3:	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[5,5,6a](Se[5,5]C[6a]O[5]2)(C[5,6a]C[6a]C[5])2	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[5,5,6a](Se[5,5]C[6a]O[5]2)(C[5,6a]C[6a]C[5])2{2|H<1>,2|O<1>,3|C<3>}	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>}	113.8690	0.103	2	113.8690	0.011	2	113.8690	0.011	2	113.8690	0.011	2	114.3605	0.592	4	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	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[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,5](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[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[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>}	103.6180	0.000	1	103.6180	0.000	1	103.6180	0.000	1	103.6180	0.000	1	103.6180	0.000	1	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	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[6,6a]-3:C[5,6]-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[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5](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[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[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	107.0633	0.261	6	107.1802	0.108	9	107.1802	0.108	9	106.8366	0.381	14	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	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[6,6a]-3:C[5,6]-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[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5](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[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[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	107.4140	0.373	3	107.1802	0.108	9	107.1802	0.108	9	106.8366	0.381	14	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5a,6,6a]-3:C[5,6a]-3:C[5,6]-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[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5])	C[5](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[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	105.5080	0.000	1	105.5080	0.000	1	105.5080	0.000	1	106.8366	0.381	14	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:N[5,6]-3:	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[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6])	C[5](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[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6]){1|S<2>,2|C<3>,2|O<1>,4|H<1>}	C[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>}	106.3955	0.398	4	106.3955	0.159	4	106.3955	0.159	4	106.8366	0.381	14	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5](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[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[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a]){1|H<1>,3|C<3>}	108.0970	0.895	3	108.0970	0.801	3	108.0970	0.801	3	108.0970	0.801	3	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	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[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	C[5](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[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	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>}	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	C[5](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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[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>}	106.1050	0.000	1	106.1050	0.000	1	106.4950	0.637	3	106.4950	0.637	3	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C)	C[5](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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[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>}	107.4130	0.000	1	107.4130	0.000	1	106.4950	0.637	3	106.4950	0.637	3	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	C[5](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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[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>}	105.9670	0.000	1	105.9670	0.000	1	106.4950	0.637	3	106.4950	0.637	3	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:P[5,6]-4:	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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(P[5,6]C[5]P[6]W)	C[5](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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(P[5,6]C[5]P[6]W){1|Si<4>,3|C<3>,4|H<1>}	C[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>}	111.3720	0.000	1	111.3720	0.000	1	111.3720	0.000	1	111.3720	0.000	1	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	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[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	C[5](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[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[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>}	107.6505	0.057	2	107.6505	0.003	2	107.6505	0.003	2	107.6505	0.003	2	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5](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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[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>}	108.5410	0.000	1	108.2000	0.132	3	108.2000	0.132	3	108.2000	0.132	3	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5](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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,6|H<1>}	C[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>}	108.0295	0.299	2	108.2000	0.132	3	108.2000	0.132	3	108.2000	0.132	3	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-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]C[6a]H)(C[5]N[5]O)	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6])	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[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[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>}	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	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[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5](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[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[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>}	108.0040	0.016	2	108.2378	0.057	6	108.2378	0.057	6	108.2378	0.057	6	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	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[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5](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[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[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>}	108.1840	0.055	2	108.2378	0.057	6	108.2378	0.057	6	108.2378	0.057	6	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	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[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5](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[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[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>}	108.5255	0.042	2	108.2378	0.057	6	108.2378	0.057	6	108.2378	0.057	6	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	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[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5](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[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[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>}	107.5683	0.203	3	107.5683	0.041	3	107.5683	0.041	3	107.5683	0.041	3	107.4574	1.197	37	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[5,5]C[6a])2	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[5,5]C[6a])2{2|H<1>,2|N<3>,4|C<3>}	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>}	100.8390	0.141	2	100.8390	0.020	2	100.8390	0.020	2	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[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>}	105.4230	0.000	1	105.4230	0.000	1	105.3988	0.121	4	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[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>}	104.9040	0.000	1	105.3907	0.181	3	105.3988	0.121	4	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[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>}	105.6340	0.081	2	105.3907	0.181	3	105.3988	0.121	4	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	103.7015	0.217	2	103.1923	0.508	18	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	102.5770	0.000	1	103.1923	0.508	18	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	103.3190	0.966	2	103.1923	0.508	18	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	103.0615	0.303	2	103.1923	0.508	18	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	103.1565	0.812	11	103.1923	0.508	18	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	104.9600	0.373	2	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	104.7480	0.000	1	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.0605	0.425	2	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.0195	0.183	2	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.3595	0.490	2	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.4110	0.045	2	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.2663	0.247	6	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.6580	0.279	4	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.3805	0.549	2	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.3955	0.139	2	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.2400	0.062	2	105.2826	0.110	27	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	106.9005	0.173	2	106.9005	0.030	2	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	103.3644	1.484	13	103.3644	2.203	13	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	103.1170	0.132	2	103.1170	0.017	2	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.4594	0.173	8	105.4594	0.030	8	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.2445	0.325	2	105.2445	0.105	2	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.3350	0.051	2	105.3350	0.003	2	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.7150	0.130	4	105.7150	0.017	4	104.5072	1.734	78	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[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>}	105.3420	0.000	1	105.3420	0.000	1	105.3420	0.000	1	104.4726	1.960	85	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[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>}	104.9970	0.000	1	104.9970	0.000	1	104.9970	0.000	1	104.9970	0.000	1	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[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>}	104.6975	0.592	2	104.6975	0.350	2	104.6975	0.350	2	104.6975	0.350	2	104.4837	1.900	88	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[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>}	104.6380	0.397	2	104.6380	0.158	2	104.6380	0.158	2	104.6380	0.158	2	104.6380	0.158	2	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>}	C[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>}	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	103.0839	10.881	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|S<2>,4|H<1>}	C[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>}	105.1510	0.000	1	105.1510	0.000	1	105.1510	0.000	1	103.0839	10.881	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5,6]){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	104.1010	3.110	2	104.1010	9.671	2	104.1010	9.671	2	103.0839	10.881	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5a,6a]C[5,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5a,6a]C[5,6]){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	100.2620	0.000	1	100.2620	0.000	1	99.4293	1.387	2	103.0839	10.881	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5a,6a]C[5,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5a,6a]C[5,6]){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	98.5966	0.000	1	98.5966	0.000	1	99.4293	1.387	2	103.0839	10.881	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[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>}	105.7580	0.000	1	105.7580	0.000	1	105.5132	0.154	5	105.7392	0.429	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[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>}	105.7595	0.401	2	105.7595	0.161	2	105.5132	0.154	5	105.7392	0.429	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[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>}	105.1230	0.000	1	105.1230	0.000	1	105.5132	0.154	5	105.7392	0.429	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[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>}	105.1660	0.000	1	105.1660	0.000	1	105.5132	0.154	5	105.7392	0.429	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6]-3:C[5,6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5a,6a]C[5,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<1>,8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5a,6a]C[5,6]){8|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	105.7392	0.429	6	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6](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[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[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>}	107.5267	0.344	3	107.4520	0.072	5	107.4520	0.072	5	107.4520	0.072	5	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6](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[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[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>}	107.3400	0.092	2	107.4520	0.072	5	107.4520	0.072	5	107.4520	0.072	5	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6](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[5,6a,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[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>}	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6](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[5,6a,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[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>}	106.7610	0.000	1	106.7610	0.000	1	106.7610	0.000	1	106.0507	0.257	4	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[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>}	106.0670	0.000	1	106.0670	0.000	1	105.8140	0.049	3	106.0507	0.257	4	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,6]C[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[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>}	105.6875	0.049	2	105.6875	0.002	2	105.8140	0.049	3	106.0507	0.257	4	105.5128	5.483	22	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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])(N[6a]C[6a,6a])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5])	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a]){1|S<4>,6|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|C<4>,3|C<3>}	104.3150	0.000	1	104.3150	0.000	1	105.0560	1.098	2	105.0560	1.098	2	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|H<1>,3|C<3>}	105.7970	0.000	1	105.7970	0.000	1	105.0560	1.098	2	105.0560	1.098	2	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	107.9325	1.117	2	106.5730	2.964	6	106.4667	2.549	7	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){6|C<3>}	107.3095	0.062	2	106.5730	2.964	6	106.4667	2.549	7	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){2|C<4>,4|C<3>}	104.4770	0.014	2	106.5730	2.964	6	106.4667	2.549	7	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	105.8290	0.000	1	105.8290	0.000	1	106.4667	2.549	7	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	107.3540	0.054	2	107.3540	0.003	2	107.3540	0.003	2	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5])	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[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])2(C[5,6a]C[6a]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])2(O){2|H<1>,4|C<3>}	105.9010	0.089	2	105.9010	0.008	2	105.9010	0.008	2	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Br<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(H){4|C<3>}	107.3870	0.000	1	107.3870	0.000	1	106.6115	0.282	4	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H){6|C<3>}	106.4370	0.024	2	106.4370	0.001	2	106.6115	0.282	4	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H){6|C<3>}	106.1850	0.000	1	106.1850	0.000	1	106.6115	0.282	4	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	105.2170	0.000	1	106.1910	0.431	4	106.1910	0.431	4	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	106.5157	0.119	3	106.1910	0.431	4	106.1910	0.431	4	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|O<1>,2|C<4>,5|C<3>}	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>}	104.9855	0.361	2	104.9855	0.131	2	104.4565	0.442	6	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<4>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O){1|C<4>,3|C<3>}	104.1920	0.643	4	104.1920	0.413	4	104.4565	0.442	6	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|Br<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br){1|H<1>,3|C<3>}	103.5010	0.000	1	103.5010	0.000	1	103.5010	0.000	1	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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]C[6a]Br)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|Br<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|Br<1>,3|C<3>}	106.6355	0.122	2	106.6355	0.015	2	106.1338	1.024	12	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Br<1>,1|B<3>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	106.1525	0.990	4	105.7375	0.953	8	106.1338	1.024	12	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	104.7620	1.021	2	105.7375	0.953	8	106.1338	1.024	12	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	105.8830	0.228	2	105.7375	0.953	8	106.1338	1.024	12	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H){1|H<1>,3|C<3>}	107.2175	0.685	2	107.2175	0.469	2	106.1338	1.024	12	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,4|H<1>}	C[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>}	106.8220	0.000	1	106.8220	0.000	1	107.2314	0.070	10	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O){1|H<1>,3|C<3>}	107.2769	0.235	9	107.2769	0.055	9	107.2314	0.070	10	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a,6a]H)(C[5]C[5]H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	106.1320	0.000	1	106.1320	0.000	1	106.5940	0.427	2	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a]H)(C[5]C[5]H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])2{3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	107.0560	0.000	1	107.0560	0.000	1	106.5940	0.427	2	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a,6a]C)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	106.4620	0.372	2	106.8457	0.397	4	106.3392	0.297	13	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a,6a]C)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	107.2295	0.681	2	106.8457	0.397	4	106.3392	0.297	13	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a,6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	106.2670	0.093	3	106.2670	0.009	3	106.3392	0.297	13	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a,6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	105.8310	0.158	2	105.8310	0.025	2	106.3392	0.297	13	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	106.5890	0.000	1	106.5890	0.000	1	106.3392	0.297	13	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	106.4540	0.000	1	106.4540	0.000	1	106.3392	0.297	13	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	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[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	105.8690	0.000	1	105.7600	0.024	2	106.3392	0.297	13	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a]H)(C[5]N[5]O)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	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[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	105.6510	0.000	1	105.7600	0.024	2	106.3392	0.297	13	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O){1|C<4>,5|C<3>}	105.8120	0.000	1	105.8120	0.000	1	106.3180	0.543	4	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<2>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	106.7550	0.925	2	106.7550	0.855	2	106.3180	0.543	4	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<2>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	105.9500	0.000	1	105.9500	0.000	1	106.3180	0.543	4	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5a,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5a,6a]C[5]){1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O){1|C<4>,5|C<3>}	106.1120	0.000	1	106.1120	0.000	1	106.1120	0.000	1	106.2666	1.160	68	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC){1|H<1>,3|C<3>}	107.8465	1.241	2	107.8465	1.540	2	106.4871	0.316	41	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	106.4980	0.339	16	106.4704	0.121	17	106.4871	0.316	41	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	106.0280	0.000	1	106.4704	0.121	17	106.4871	0.316	41	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN){1|H<1>,3|C<3>}	106.5232	0.577	6	106.5232	0.333	6	106.4871	0.316	41	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	105.9692	0.343	4	106.1859	0.190	7	106.4871	0.316	41	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	106.4747	0.417	3	106.1859	0.190	7	106.4871	0.316	41	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	106.3834	0.562	7	106.3834	0.316	7	106.4871	0.316	41	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN){1|H<1>,3|C<3>}	106.5800	0.221	2	106.5800	0.049	2	106.4871	0.316	41	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB){1|H<1>,3|C<3>}	105.5525	0.124	2	105.5525	0.015	2	105.7067	0.079	3	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5]){1|H<1>,3|C<3>}	106.0150	0.000	1	106.0150	0.000	1	105.7067	0.079	3	106.4339	0.338	44	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[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>}	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	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>}	105.9030	0.414	4	105.9030	0.172	4	105.9030	0.172	4	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[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>}	106.1140	0.000	1	106.1140	0.000	1	106.3104	0.030	5	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	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>}	106.3600	0.187	3	106.3600	0.035	3	106.3104	0.030	5	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	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>}	106.3580	0.000	1	106.3580	0.000	1	106.3104	0.030	5	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,4|H<1>}	C[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>}	106.0790	0.000	1	106.0790	0.000	1	106.0790	0.000	1	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[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>}	106.0190	0.000	1	106.0190	0.000	1	106.0190	0.000	1	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	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[5,6a,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[5a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|H<1>,7|C<3>}	C[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>}	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[3x6a]-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[5,6a,6a](C[5,6a]C[6a,6a]C[5])2(C[3x6a]C[6a,6a]2)	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[5,6a,6a](C[5,6a]C[6a,6a]C[5])2(C[3x6a]C[6a,6a]2){8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH){4|C<3>}	106.5405	0.047	2	106.5405	0.002	2	106.5405	0.002	2	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{1|O<1>,2|C<4>,5|C<3>}	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>}	105.0340	0.083	2	105.0340	0.007	2	105.0340	0.007	2	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	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>}	103.9630	0.124	2	103.9630	0.015	2	103.9630	0.015	2	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	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>}	105.8170	0.106	2	105.8170	0.011	2	105.8170	0.011	2	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	C[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>}	105.7750	0.100	2	105.7750	0.010	2	105.7750	0.010	2	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,5|H<1>}	C[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>}	104.6755	0.617	2	104.6755	0.381	2	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.1640	0.591	2	105.1640	0.349	2	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.5725	0.111	2	105.5725	0.012	2	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	106.0950	0.000	1	106.0950	0.000	1	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	104.9535	0.067	2	105.0222	0.015	4	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[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>}	105.0910	0.148	2	105.0222	0.015	4	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.5180	0.000	1	105.5180	0.000	1	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.2514	0.417	26	105.2514	0.174	26	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	104.9638	0.246	4	104.9638	0.060	4	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.5371	0.381	14	105.5371	0.146	14	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.5850	0.518	28	105.5850	0.269	28	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.9220	0.000	1	105.9220	0.000	1	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[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>}	105.6330	0.000	1	105.6330	0.000	1	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.0715	0.255	6	105.0715	0.065	6	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.7130	0.000	1	105.7130	0.000	1	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.4862	0.282	4	105.4862	0.079	4	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.3238	0.874	104	105.3238	0.764	104	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.5553	0.592	14	105.5553	0.350	14	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.2001	0.625	16	105.2001	0.391	16	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.6118	0.445	6	105.6118	0.198	6	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	106.2820	0.255	2	106.2820	0.065	2	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.2450	0.074	2	105.2450	0.005	2	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.8307	0.574	4	105.8307	0.329	4	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[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>}	105.7255	0.186	31	105.7255	0.035	31	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoC){1|H<1>,3|C<3>}	105.1170	0.542	2	105.1170	0.293	2	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoO){1|H<1>,3|C<3>}	105.1970	0.000	1	105.1970	0.000	1	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NFeC){1|H<1>,3|C<3>}	105.7134	0.426	10	105.7134	0.182	10	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnC){1|H<1>,3|C<3>}	105.9630	0.000	1	105.9630	0.000	1	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnO){1|H<1>,3|C<3>}	106.2333	0.098	3	106.2333	0.010	3	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMoSi){1|H<1>,3|C<3>}	106.2325	0.104	2	106.2325	0.011	2	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NZnC){1|H<1>,3|C<3>}	106.3745	0.583	2	106.3745	0.340	2	105.4447	0.437	297	105.4797	0.473	320	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5a,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]C){7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	106.6420	0.000	1	106.6420	0.000	1	106.6420	0.000	1	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[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>}	105.7250	0.000	1	105.7250	0.000	1	105.7250	0.000	1	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|H<1>,4|C<4>}	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>}	103.7482	0.519	4	103.7482	0.269	4	104.0010	0.198	8	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]C[5])2{2|C<3>,2|H<1>,4|C<4>}	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>}	104.2537	0.152	4	104.2537	0.023	4	104.0010	0.198	8	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[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>}	104.4750	0.123	2	104.4750	0.015	2	104.4750	0.015	2	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5])	C[5](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[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	C[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>}	105.1260	0.000	1	105.1260	0.000	1	105.1260	0.000	1	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a]C[5]){1|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5a,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5a,6a]C[5]){1|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	106.0390	0.000	1	106.0390	0.000	1	106.1970	0.050	2	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5a,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5a,6a]C[5]){1|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	106.3550	0.000	1	106.3550	0.000	1	106.1970	0.050	2	104.7604	1.018	16	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[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>}	107.4170	0.124	2	107.4170	0.015	2	107.4170	0.015	2	107.3933	0.050	14	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,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[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[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>}	107.0930	0.000	1	107.0930	0.000	1	107.3859	0.050	8	107.3933	0.050	14	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,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[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.7340	0.000	1	107.4277	0.042	7	107.3859	0.050	8	107.3933	0.050	14	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,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[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.3767	0.168	6	107.4277	0.042	7	107.3859	0.050	8	107.3933	0.050	14	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,5]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	107.3933	0.050	14	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,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[5,6a]-3:C[6a,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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	C[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>}	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	107.3933	0.050	14	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,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]C[6a]H)(C[5]C[5]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	107.3933	0.050	14	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a]H)(C[5]C[5]O)	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2	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[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2{1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(O){1|H<1>,3|C<3>}	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	107.3933	0.050	14	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[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>}	106.0870	0.421	2	106.0870	0.178	2	106.0870	0.178	2	106.6328	0.318	12	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	106.5705	0.249	8	106.5705	0.062	8	106.7420	0.290	10	106.6328	0.318	12	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]){1|H<1>,3|C<3>}	106.7220	0.000	1	106.7220	0.000	1	106.7420	0.290	10	106.6328	0.318	12	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|Ni<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]NiN)(NSi){1|H<1>,3|C<3>}	108.1340	0.000	1	108.1340	0.000	1	106.7420	0.290	10	106.6328	0.318	12	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	C[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>}	107.6130	0.198	2	107.6130	0.039	2	107.6130	0.039	2	108.9431	12.657	8	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[6a]P[5])	C[5,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a,6a]P[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[6a]P[5]){1|H<1>,1|S<1>,1|S<2>,7|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a,6a]P[5]){1|S<1>,1|S<2>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	108.9431	12.657	8	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[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>}	106.1350	0.000	1	106.1350	0.000	1	105.6650	0.201	3	108.9431	12.657	8	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2)	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[5,6a,6a](C[5,6a]C[6a]C[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<3>,3|C<3>,4|H<1>}	C[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>}	105.4300	0.266	2	105.4300	0.071	2	105.6650	0.201	3	108.9431	12.657	8	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC){1|H<1>,3|C<3>}	113.1260	0.000	1	113.1260	0.000	1	113.3200	0.075	2	108.9431	12.657	8	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[6a]Si[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[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>}	113.5140	0.000	1	113.5140	0.000	1	113.3200	0.075	2	108.9431	12.657	8	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[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>}	107.0070	0.000	1	107.0070	0.000	1	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.2950	0.000	1	107.2986	0.172	5	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.5163	0.251	3	107.2986	0.172	5	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	106.6490	0.000	1	107.2986	0.172	5	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.3120	0.180	2	107.3012	0.138	12	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.3218	0.437	6	107.3012	0.138	12	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.2647	0.420	4	107.3012	0.138	12	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.4386	0.224	10	107.4576	0.058	12	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.5525	0.401	2	107.4576	0.058	12	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.5174	0.272	5	107.5088	0.060	6	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.4660	0.000	1	107.5088	0.060	6	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	106.7710	0.000	1	107.2595	0.105	13	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.2465	0.248	11	107.2595	0.105	13	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.8920	0.000	1	107.2595	0.105	13	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.6200	0.000	1	107.1969	0.175	8	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.6480	0.000	1	107.1969	0.175	8	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.0512	0.377	6	107.1969	0.175	8	107.3264	0.113	57	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	107.2227	0.192	4	107.2227	0.037	4	107.2704	0.023	7	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	C[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>}	107.3700	0.000	1	107.3700	0.000	1	107.2704	0.023	7	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[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>}	107.3610	0.000	1	107.3610	0.000	1	107.2704	0.023	7	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	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[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5](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[5,6a,6a](C[5,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[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>}	107.2710	0.000	1	107.2710	0.000	1	107.2704	0.023	7	107.3203	0.103	64	105.9723	1.273	549	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:2:3:	5:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[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>}	111.9040	1.349	2	112.0930	0.666	5	112.0930	0.666	5	112.2134	1.193	9	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	C[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>}	111.7520	0.000	1	112.0930	0.666	5	112.0930	0.666	5	112.2134	1.193	9	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	C[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>}	112.4525	0.630	2	112.0930	0.666	5	112.0930	0.666	5	112.2134	1.193	9	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[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>}	113.0410	0.780	3	113.0410	0.609	3	113.0410	0.609	3	112.2134	1.193	9	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5]){1|C<4>,1|O<2>,3|C<3>}	C[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>}	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	112.2134	1.193	9	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	C[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>}	113.0540	0.000	1	113.0540	0.000	1	113.2045	0.045	2	113.0605	0.043	4	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	C[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>}	113.3550	0.000	1	113.3550	0.000	1	113.2045	0.045	2	113.0605	0.043	4	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2){2|Se<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2){1|Se<2>,1|H<1>,4|C<3>}	112.9165	0.016	2	112.9165	0.000	2	112.9165	0.000	2	113.0605	0.043	4	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5]){1|Si<4>,1|H<1>,3|C<3>}	C[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>}	113.6810	0.359	2	113.6810	0.129	2	113.6810	0.129	2	113.6810	0.129	2	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	C[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>}	105.6050	0.000	1	105.6050	0.000	1	105.4580	0.043	2	107.4547	11.982	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|O<2>}	C[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>}	105.3110	0.000	1	105.3110	0.000	1	105.4580	0.043	2	107.4547	11.982	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-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]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	C[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>}	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	107.4547	11.982	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	C[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>}	105.3110	0.000	1	105.3110	0.000	1	105.4343	0.011	3	105.4343	0.011	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	C[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>}	105.4960	0.000	2	105.4960	0.000	2	105.4343	0.011	3	105.4343	0.011	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	5:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	C[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>}	111.2125	1.023	2	111.2125	1.047	2	110.9870	0.676	3	110.9870	0.676	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:2:	5:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	C[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>}	110.5360	0.000	1	110.5360	0.000	1	110.9870	0.676	3	110.9870	0.676	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5,5](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[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[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>}	106.1530	0.000	2	106.1530	0.000	2	106.1530	0.000	2	106.1530	0.000	2	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]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[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[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>}	106.2020	0.000	1	106.2020	0.000	1	105.7730	1.167	5	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]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[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[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>}	104.8040	0.000	1	104.8040	0.000	1	105.7730	1.167	5	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]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[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[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>}	104.6920	0.000	1	104.6920	0.000	1	105.7730	1.167	5	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]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[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[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>}	106.5835	1.030	2	106.5835	1.061	2	105.7730	1.167	5	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]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[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[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>}	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5,5](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[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[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>}	106.8050	0.000	1	106.8050	0.000	1	106.5845	0.097	2	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,5](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[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[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>}	106.3640	0.000	1	106.3640	0.000	1	106.5845	0.097	2	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]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[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[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>}	105.9070	0.000	1	105.9070	0.000	1	106.0282	0.494	4	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]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[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[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>}	105.2140	0.000	1	105.2140	0.000	1	106.0282	0.494	4	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]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[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[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>}	106.4960	0.607	2	106.4960	0.368	2	106.0282	0.494	4	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]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[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[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>}	106.5225	0.100	2	106.5225	0.010	2	106.5473	0.005	6	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]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[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[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>}	106.5400	0.054	2	106.5400	0.003	2	106.5473	0.005	6	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]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[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[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>}	106.5795	0.093	2	106.5795	0.009	2	106.5473	0.005	6	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]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[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[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>}	106.6753	0.329	4	106.6753	0.109	4	106.6753	0.109	4	106.2785	0.450	22	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[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>}	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,2|H<1>}	C[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>}	106.3040	0.000	1	106.3040	0.000	1	106.6195	0.199	2	106.6195	0.199	2	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	C[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>}	106.9350	0.000	1	106.9350	0.000	1	106.6195	0.199	2	106.6195	0.199	2	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,3|H<1>}	C[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>}	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](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[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[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>}	105.8860	0.000	1	105.0740	0.732	3	105.0740	0.732	3	105.0740	0.732	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](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[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	104.1810	0.000	1	105.0740	0.732	3	105.0740	0.732	3	105.0740	0.732	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](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[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[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>}	105.1550	0.000	1	105.0740	0.732	3	105.0740	0.732	3	105.0740	0.732	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:4:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)	C[5,5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	107.6300	0.064	2	107.6300	0.004	2	107.6300	0.004	2	107.6300	0.004	2	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:3:4:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO){1|Si<4>,1|H<1>,3|C<3>}	C[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>}	113.2870	0.000	1	113.2870	0.000	1	113.2870	0.000	1	113.2870	0.000	1	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[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>}	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	110.0405	8.698	4	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,7|C<3>}	C[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>}	106.7570	0.000	1	106.7570	0.000	1	106.7570	0.000	1	110.0405	8.698	4	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[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>}	112.5300	0.205	2	112.5300	0.042	2	112.5300	0.042	2	110.0405	8.698	4	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F){1|N<3>,2|F<1>,6|C<3>}	C[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>}	107.6370	0.000	1	107.6370	0.000	1	106.9202	0.220	5	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[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>}	106.7410	0.281	4	106.7410	0.079	4	106.9202	0.220	5	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	107.4215	0.091	2	107.4215	0.008	2	107.4215	0.008	2	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[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>}	105.2980	0.000	1	105.2980	0.000	1	105.2980	0.000	1	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[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>}	106.7680	0.000	1	106.7680	0.000	1	106.7573	0.001	3	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	106.7520	0.041	2	106.7520	0.002	2	106.7573	0.001	3	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]Se)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]Se)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	111.3820	0.000	1	111.3820	0.000	1	111.3820	0.000	1	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[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>}	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	111.3515	0.301	2	111.3515	0.090	2	111.3515	0.090	2	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[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>}	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(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[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[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>}	105.9700	0.000	1	105.9700	0.000	1	106.4270	0.418	2	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(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[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[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>}	106.8840	0.000	1	106.8840	0.000	1	106.4270	0.418	2	108.2873	5.669	20	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[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>}	106.6130	0.027	2	106.6130	0.001	2	106.8620	0.102	6	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[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>}	106.9865	0.328	4	106.9865	0.108	4	106.8620	0.102	6	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[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>}	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[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>}	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]CO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]CO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[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>}	113.6340	0.000	1	113.6340	0.000	1	113.5400	0.033	3	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[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>}	113.4930	0.228	2	113.4930	0.052	2	113.5400	0.033	3	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[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>}	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[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>}	113.6860	0.000	1	113.6860	0.000	1	113.4057	0.083	3	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[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>}	113.2655	0.221	2	113.2655	0.049	2	113.4057	0.083	3	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<4>,3|C<3>}	C[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>}	112.0040	0.000	1	112.0040	0.000	1	111.8965	0.023	2	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[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>}	111.7890	0.000	1	111.7890	0.000	1	111.8965	0.023	2	110.4626	9.534	17	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[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>}	106.9620	0.000	1	106.9620	0.000	1	107.3347	0.657	7	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[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>}	108.1720	0.000	1	108.1243	0.084	3	107.3347	0.657	7	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[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>}	108.3880	0.000	1	108.1243	0.084	3	107.3347	0.657	7	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[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>}	107.8130	0.000	1	108.1243	0.084	3	107.3347	0.657	7	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[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>}	106.4000	0.000	1	106.4000	0.000	1	107.3347	0.657	7	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[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>}	106.8040	0.571	2	106.8040	0.326	2	107.3347	0.657	7	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	106.4545	0.306	2	106.4545	0.094	2	106.4545	0.094	2	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	C[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>}	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[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>}	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	107.9478	3.825	11	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[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>}	106.6360	0.000	1	106.6360	0.000	1	106.6360	0.000	1	109.4610	5.989	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[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>}	110.8735	0.083	2	110.8735	0.007	2	110.8735	0.007	2	109.4610	5.989	3	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	4:3:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H){4|H<1>,6|C<3>}	110.1224	0.343	20	110.1224	0.117	20	110.1224	0.117	20	109.6113	1.965	23	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[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>}	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	109.6113	1.965	23	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[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>}	105.8070	0.089	2	105.8070	0.008	2	105.8070	0.008	2	109.6113	1.965	23	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[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>}	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,5]	3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](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[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	107.1450	0.156	2	107.1450	0.024	2	107.1450	0.024	2	107.1450	0.024	2	108.8457	7.432	140	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]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[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[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>}	109.2970	0.000	1	109.2970	0.000	1	109.1690	0.018	6	109.1690	0.018	6	109.1690	0.018	6	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]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[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[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>}	109.1907	0.090	4	109.1434	0.017	5	109.1690	0.018	6	109.1690	0.018	6	109.1690	0.018	6	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]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[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[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>}	108.9540	0.000	1	109.1434	0.017	5	109.1690	0.018	6	109.1690	0.018	6	109.1690	0.018	6	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<2>,2|H<1>}	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]){1|N<2>,3|C<3>}	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[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])(N[6a]C[6a]){3|H<1>,4|C<3>}	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){2|H<1>,4|C<3>}	107.7550	0.000	1	107.7550	0.000	1	107.7097	0.549	6	107.8759	0.651	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	107.0010	0.781	2	107.0010	0.609	2	107.7097	0.549	6	107.8759	0.651	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[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])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	107.7360	0.000	1	107.7360	0.000	1	107.7097	0.549	6	107.8759	0.651	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,1|O<1>,2|H<1>,3|C<3>}	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){1|O<1>,2|H<1>,3|C<3>}	108.0470	0.000	1	108.0470	0.000	1	107.7097	0.549	6	107.8759	0.651	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Ru<6>,1|O<1>,2|H<1>,3|C<3>}	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Ru){1|O<1>,2|H<1>,3|C<3>}	108.7180	0.000	1	108.7180	0.000	1	107.7097	0.549	6	107.8759	0.651	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	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[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	107.8759	0.651	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){2|C<4>,2|H<1>,3|C<3>}	107.6960	0.000	1	107.6960	0.000	1	107.2157	0.223	3	107.2157	0.223	3	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|Pd<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){1|Pd<4>,3|C<3>,3|H<1>}	106.7510	0.000	1	106.7510	0.000	1	107.2157	0.223	3	107.2157	0.223	3	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:2:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]RhC)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]RhC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Rh){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	107.2000	0.000	1	107.2000	0.000	1	107.2157	0.223	3	107.2157	0.223	3	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:2:2:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-2:N[6a]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	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>}	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,2|C<3>,2|H<1>}	C[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>}	113.6315	0.889	2	113.6315	0.790	2	113.6315	0.790	2	113.6315	0.790	2	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-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]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	C[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>}	106.1340	0.000	1	106.1340	0.000	1	105.5200	0.754	2	105.5200	0.754	2	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-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]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>}	C[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>}	104.9060	0.000	1	104.9060	0.000	1	105.5200	0.754	2	105.5200	0.754	2	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[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>}	106.5270	0.000	1	106.6263	0.124	3	106.7045	0.075	6	106.4988	0.732	10	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[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>}	106.3350	0.000	1	106.6263	0.124	3	106.7045	0.075	6	106.4988	0.732	10	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	C[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>}	107.0170	0.000	1	106.6263	0.124	3	106.7045	0.075	6	106.4988	0.732	10	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[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>}	107.0240	0.000	1	106.7827	0.044	3	106.7045	0.075	6	106.4988	0.732	10	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[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>}	106.6380	0.000	1	106.7827	0.044	3	106.7045	0.075	6	106.4988	0.732	10	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[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>}	106.6860	0.000	1	106.7827	0.044	3	106.7045	0.075	6	106.4988	0.732	10	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[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>}	106.1902	1.364	4	106.1902	1.860	4	106.1902	1.860	4	106.4988	0.732	10	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	C[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>}	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	111.1991	4.611	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[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>}	111.8967	0.141	4	112.0077	0.042	6	112.0077	0.042	6	111.1991	4.611	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[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>}	112.2295	0.039	2	112.0077	0.042	6	112.0077	0.042	6	111.1991	4.611	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6](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[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[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>}	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.6360	0.810	2	106.6360	0.657	2	106.1845	0.232	11	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.4990	0.000	1	106.0620	0.382	2	106.1845	0.232	11	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	105.6250	0.000	1	106.0620	0.382	2	106.1845	0.232	11	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	105.9900	0.000	1	105.9900	0.000	1	106.1845	0.232	11	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.1927	0.594	3	106.1927	0.352	3	106.1845	0.232	11	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.1350	0.000	1	106.1350	0.000	1	106.1845	0.232	11	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	105.9655	0.080	2	105.9655	0.006	2	106.1845	0.232	11	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.0690	0.095	2	107.1427	0.021	3	107.2751	0.062	10	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.2900	0.000	1	107.1427	0.021	3	107.2751	0.062	10	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	106.9350	0.000	1	107.3319	0.073	7	107.2751	0.062	10	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.3340	0.088	2	107.3319	0.073	7	107.2751	0.062	10	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.4550	0.339	3	107.3319	0.073	7	107.2751	0.062	10	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.3550	0.000	1	107.3319	0.073	7	107.2751	0.062	10	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	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[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[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>}	107.0595	0.230	2	107.0595	0.053	2	107.0595	0.053	2	106.7739	0.445	24	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[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[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>}	107.5600	0.000	1	107.5425	0.001	2	107.5425	0.001	2	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[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[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>}	107.5250	0.000	1	107.5425	0.001	2	107.5425	0.001	2	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	108.4655	0.180	6	108.4655	0.032	6	108.4655	0.032	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.3470	0.339	2	107.4440	0.052	4	107.4440	0.052	4	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.5410	0.041	2	107.4440	0.052	4	107.4440	0.052	4	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]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[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[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>}	107.4850	0.000	1	107.4850	0.000	1	107.3307	0.219	4	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]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[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[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>}	106.6880	0.000	1	106.6880	0.000	1	107.3307	0.219	4	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	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[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[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>}	107.5750	0.317	2	107.5750	0.100	2	107.3307	0.219	4	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	105.9075	0.343	2	105.9075	0.118	2	106.1246	0.104	7	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.7170	0.000	1	106.7170	0.000	1	106.1246	0.104	7	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.1310	0.000	1	106.1310	0.000	1	106.1246	0.104	7	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	105.9780	0.000	2	105.9780	0.000	2	106.1246	0.104	7	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.2530	0.000	1	106.2530	0.000	1	106.1246	0.104	7	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	107.5860	0.000	1	107.5860	0.000	1	107.5860	0.000	1	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]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[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[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>}	107.1180	0.000	1	107.1180	0.000	1	107.1180	0.000	1	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	106.5300	0.000	1	106.2140	0.200	2	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	105.8980	0.000	1	106.2140	0.200	2	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	106.7940	0.000	1	106.7940	0.000	1	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	105.7970	0.000	1	106.2953	0.186	3	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	106.5445	0.011	2	106.2953	0.186	3	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.2273	0.331	3	107.2273	0.109	3	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	108.1570	0.208	2	108.0074	0.056	8	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	108.1433	0.166	3	108.0074	0.056	8	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.7870	0.000	1	108.0074	0.056	8	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.7640	0.163	2	108.0074	0.056	8	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.8180	0.358	2	107.8180	0.128	2	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.3080	0.000	1	107.2945	0.000	2	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.2810	0.000	1	107.2945	0.000	2	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]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[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[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>}	107.6640	0.000	1	107.6640	0.000	1	107.3517	0.552	22	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.0870	0.006	2	105.7960	0.254	3	105.8723	0.116	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	105.2140	0.000	1	105.7960	0.254	3	105.8723	0.116	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	105.8150	0.000	1	105.9487	0.018	3	105.8723	0.116	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	106.0830	0.000	1	105.9487	0.018	3	105.8723	0.116	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	105.9480	0.000	1	105.9487	0.018	3	105.8723	0.116	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	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[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[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>}	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	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[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[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>}	107.0690	0.000	1	107.0690	0.000	1	107.9320	1.490	2	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	108.7950	0.000	1	108.7950	0.000	1	107.9320	1.490	2	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[5,6](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[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[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>}	109.9905	1.978	2	109.9905	3.912	2	108.6135	2.450	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[5,6](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[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[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>}	107.8465	1.585	2	107.8465	2.511	2	108.6135	2.450	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[5,6](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[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[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>}	108.0035	0.336	2	108.0035	0.113	2	108.6135	2.450	6	107.2885	1.167	63	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	108.2530	0.000	1	108.2530	0.000	1	108.2530	0.000	1	108.6392	0.713	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O)	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[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[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>}	108.0725	0.196	2	108.0725	0.038	2	108.0725	0.038	2	108.6392	0.713	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.0570	0.000	1	110.0570	0.000	1	109.3990	0.866	2	108.6392	0.713	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	108.7410	0.000	1	108.7410	0.000	1	109.3990	0.866	2	108.6392	0.713	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	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[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[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>}	109.2600	0.000	1	109.2600	0.000	1	109.5740	0.197	2	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	109.8880	0.000	1	109.8880	0.000	1	109.5740	0.197	2	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|H<1>,3|C<3>}	C[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>}	106.5970	0.000	1	106.5970	0.000	1	107.9666	1.010	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	C[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>}	108.4240	0.000	1	108.4240	0.000	1	107.9666	1.010	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	108.5290	0.000	1	108.5290	0.000	1	107.9666	1.010	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	C[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>}	107.2530	0.000	1	107.2530	0.000	1	107.9666	1.010	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|C<3>,3|H<1>}	C[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>}	109.0300	0.000	1	109.0300	0.000	1	107.9666	1.010	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[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>}	106.1720	0.000	1	105.7102	0.277	5	105.7102	0.277	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[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>}	105.9640	0.000	1	105.7102	0.277	5	105.7102	0.277	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[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>}	105.7910	0.215	2	105.7102	0.277	5	105.7102	0.277	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[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>}	104.8330	0.000	1	105.7102	0.277	5	105.7102	0.277	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	107.3240	0.116	2	107.3240	0.013	2	107.5400	0.043	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	107.6840	0.037	3	107.6840	0.001	3	107.5400	0.043	5	107.3666	1.933	17	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:5:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Al)(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Al)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[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>}	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC)	C[5,6](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[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC){5|C<3>}	C[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>}	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[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>}	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.5650	5.615	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[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>}	106.9290	0.000	1	106.9290	0.000	1	106.8000	0.033	2	109.5650	5.615	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[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>}	106.6710	0.000	1	106.6710	0.000	1	106.8000	0.033	2	109.5650	5.615	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[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>}	111.0680	0.000	1	110.9240	0.041	2	110.9240	0.041	2	109.5650	5.615	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[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>}	110.7800	0.000	1	110.9240	0.041	2	110.9240	0.041	2	109.5650	5.615	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[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>}	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	109.5650	5.615	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[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>}	111.0430	0.000	1	111.0430	0.000	1	111.0430	0.000	1	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	110.6980	0.000	1	110.6980	0.000	1	110.4736	0.099	18	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[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>}	110.4348	0.476	4	110.4348	0.226	4	110.4736	0.099	18	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|H<1>,7|C<3>}	C[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>}	110.2595	0.093	2	110.4741	0.094	11	110.4736	0.099	18	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	110.5218	0.320	9	110.4741	0.094	11	110.4736	0.099	18	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[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>}	110.4190	0.000	1	110.4190	0.000	1	110.4736	0.099	18	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[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>}	110.4530	0.000	1	110.4530	0.000	1	110.4736	0.099	18	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[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>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[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>}	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[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>}	107.1490	0.000	1	107.1490	0.000	1	106.9368	0.514	5	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[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>}	106.3830	0.000	1	106.4773	0.009	3	106.9368	0.514	5	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[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>}	106.5245	0.063	2	106.4773	0.009	3	106.9368	0.514	5	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[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>}	108.1030	0.000	1	108.1030	0.000	1	106.9368	0.514	5	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[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>}	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[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>}	112.3245	0.108	2	112.3245	0.012	2	112.6846	0.336	13	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	112.8610	0.000	1	112.8610	0.000	1	112.6846	0.336	13	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[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>}	112.3470	0.248	4	112.7390	0.411	10	112.6846	0.336	13	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	112.5657	0.730	3	112.7390	0.411	10	112.6846	0.336	13	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	113.4350	0.380	3	112.7390	0.411	10	112.6846	0.336	13	110.5653	3.822	41	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[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>}	107.4270	0.000	1	107.4270	0.000	1	108.5446	0.650	5	108.5446	0.650	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[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>}	109.1630	0.107	2	109.1630	0.012	2	108.5446	0.650	5	108.5446	0.650	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[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>}	109.0170	0.000	1	109.0170	0.000	1	108.5446	0.650	5	108.5446	0.650	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[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>}	107.9530	0.000	1	107.9530	0.000	1	108.5446	0.650	5	108.5446	0.650	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[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>}	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[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>}	108.6300	0.000	1	108.6300	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[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>}	108.8980	0.000	1	108.8980	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[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>}	108.9450	0.000	1	108.9450	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[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>}	109.1455	0.330	2	109.1455	0.109	2	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[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>}	108.4500	0.092	2	108.4500	0.008	2	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[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>}	109.0610	0.000	1	109.0610	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	107.9950	0.000	1	109.3782	0.657	5	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	109.7240	0.282	4	109.3782	0.657	5	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	108.8670	0.000	1	108.8670	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	108.7220	0.000	1	108.7220	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	108.6670	0.000	1	108.6670	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[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>}	108.4030	0.000	1	108.4030	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[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>}	109.1890	0.339	2	109.1890	0.115	2	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Os2)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Os2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.8585	0.180	2	108.8585	0.033	2	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[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>}	109.3330	0.000	1	109.3330	0.000	1	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[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>}	109.6580	0.444	2	109.6580	0.197	2	109.0425	0.270	24	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[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>}	113.9745	0.151	2	113.9745	0.023	2	113.9745	0.023	2	109.4506	1.990	27	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[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>}	108.8910	0.000	1	108.8910	0.000	1	109.0943	0.053	4	110.7746	4.512	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[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>}	109.1620	0.227	3	109.1620	0.052	3	109.0943	0.053	4	110.7746	4.512	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[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>}	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	110.7746	4.512	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[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>}	112.7105	0.045	2	112.7105	0.002	2	112.7105	0.002	2	110.7746	4.512	7	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	109.8792	4.031	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	110.2315	0.281	2	110.2315	0.079	2	110.2315	0.079	2	109.8792	4.031	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	108.1690	0.000	1	109.1893	8.269	3	109.1893	8.269	3	109.8792	4.031	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[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>}	112.4360	0.000	1	109.1893	8.269	3	109.1893	8.269	3	109.8792	4.031	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[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>}	106.9630	0.000	1	109.1893	8.269	3	109.1893	8.269	3	109.8792	4.031	6	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[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>}	108.7050	0.093	2	108.7050	0.009	2	108.7050	0.009	2	108.7050	0.009	2	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	109.0710	0.105	2	109.0710	0.011	2	109.0710	0.011	2	110.9600	14.473	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6,6]C[6]Ru)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6]C[5,6,6]C[6]Ru)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[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>}	109.6430	0.000	1	109.6430	0.000	1	109.4530	0.072	2	110.9600	14.473	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](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[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[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>}	109.2630	0.000	1	109.2630	0.000	1	109.4530	0.072	2	110.9600	14.473	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	Ge[5,3x6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6](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[5,6a](Ge[5,3x6]C[5,3x6]C[6,6]2)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	117.7520	0.000	1	117.7520	0.000	1	117.7520	0.000	1	110.9600	14.473	5	108.5388	4.700	245	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:2:3:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|O<1>}	108.0807	0.686	6	108.0807	0.470	6	108.0807	0.470	6	108.1577	0.361	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:2:3:	3:3:1:	C[5,6a]-3:S[6a]-2:C[5]-3:	C[5,6a]-3:S[6a]-2:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]S[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]S[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	108.3890	0.181	2	108.3890	0.033	2	108.3890	0.033	2	108.1577	0.361	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5](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]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	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>}	108.0958	0.388	5	108.0958	0.150	5	108.0958	0.150	5	108.0958	0.150	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5](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]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	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>}	108.8210	0.000	1	108.8210	0.000	1	108.6855	0.037	2	108.6855	0.037	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a]){1|N<2>,4|C<3>}	108.5500	0.000	1	108.5500	0.000	1	108.6855	0.037	2	108.6855	0.037	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	107.8680	0.000	1	107.8006	0.261	5	107.8006	0.261	5	107.8006	0.261	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	107.7837	0.589	4	107.8006	0.261	5	107.8006	0.261	5	107.8006	0.261	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:2:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C){1|H<1>,1|O<2>,2|C<3>}	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[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H){1|O<2>,2|C<3>}	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])	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])(N[6a]C[5a,6a])(C[5]C[5,6a]H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,6|C<3>}	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>}	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	109.5563	1.726	10	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	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[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O){1|N<3>,4|C<3>}	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	109.5563	1.726	10	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	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[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){3|C<3>}	109.1687	0.331	3	109.1687	0.109	3	109.0790	0.255	6	109.5563	1.726	10	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	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[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	109.0510	0.993	2	109.0510	0.986	2	109.0790	0.255	6	109.5563	1.726	10	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	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[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,3|C<3>}	108.8660	0.000	1	108.8660	0.000	1	109.0790	0.255	6	109.5563	1.726	10	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]O[6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O){1|H<1>,2|C<3>,2|O<1>}	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[5](C[5,6a]C[5,6a]O[6a])(N[5]C[5]H)(O){1|O<1>,2|C<3>}	111.4235	0.605	2	111.4235	0.366	2	111.4235	0.366	2	109.5563	1.726	10	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	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[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	105.4230	0.000	1	105.4230	0.000	1	105.4230	0.000	1	105.4230	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:4:	3:2:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]HH){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(O){2|C<3>,2|H<1>}	108.7500	0.287	2	108.7500	0.082	2	108.7500	0.082	2	110.0175	2.195	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:4:	3:2:1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]CH){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	111.0890	0.000	1	111.0890	0.000	1	111.2850	0.077	2	110.0175	2.195	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:4:	3:2:1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]HH)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O){2|C<3>,2|H<1>}	111.4810	0.000	1	111.4810	0.000	1	111.2850	0.077	2	110.0175	2.195	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:4:	3:2:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C[6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.9180	0.000	1	108.9180	0.000	1	109.2970	0.108	3	109.2970	0.108	3	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,4|C<3>}	109.4865	0.005	2	109.4865	0.000	2	109.2970	0.108	3	109.2970	0.108	3	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:4:	3:4:1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]C[5]CO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(O){1|O<2>,3|C<3>}	112.8870	0.000	1	112.8870	0.000	1	112.8870	0.000	1	112.8870	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C){3|C<3>,4|H<1>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	110.9445	0.046	2	110.9445	0.002	2	110.9445	0.002	2	110.9445	0.002	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:2:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	109.3337	0.070	3	109.3337	0.005	3	109.3337	0.005	3	109.3337	0.005	3	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	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)(N[6a]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a])	C[5](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]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a]){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a]){1|H<1>,1|O<1>,4|C<3>}	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>}	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-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[5]C[5,6a]O)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	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)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	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>}	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-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]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])2(CC[6a]2){4|C<3>}	109.0680	1.209	2	109.0680	1.462	2	109.0680	1.462	2	109.2505	0.532	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]N[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])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])2(C[6]C[6,6a]2){8|C<3>}	109.4330	0.028	2	109.4330	0.001	2	109.4330	0.001	2	109.2505	0.532	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:2:	4:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[3,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	108.4360	0.136	2	108.4360	0.018	2	108.4360	0.018	2	108.4360	0.018	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC){1|H<1>,1|N<2>,2|C<3>}	103.7300	0.000	1	103.7300	0.000	1	103.7300	0.000	1	103.7300	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	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>}	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	107.3558	0.586	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	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>}	107.3790	1.124	2	107.3790	1.264	2	107.7333	1.009	3	107.3558	0.586	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	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>}	108.4420	0.000	1	108.4420	0.000	1	107.7333	1.009	3	107.3558	0.586	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	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>}	106.9380	0.000	1	106.9380	0.000	1	107.3445	0.330	2	107.3558	0.586	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	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>}	107.7510	0.000	1	107.7510	0.000	1	107.3445	0.330	2	107.3558	0.586	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:O[6a]-2:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]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[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O){1|H<1>,2|C<3>,2|O<1>}	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>}	106.6325	0.407	2	106.6325	0.165	2	106.6325	0.165	2	107.3558	0.586	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Os<9>,2|C<3>,2|H<1>}	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>}	103.9540	0.000	1	103.9540	0.000	1	104.4985	0.593	2	106.4055	1.728	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	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>}	105.0430	0.000	1	105.0430	0.000	1	104.4985	0.593	2	106.4055	1.728	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	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>}	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	106.4055	1.728	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	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>}	106.9203	0.726	3	106.9203	0.527	3	106.9203	0.527	3	106.4055	1.728	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	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>}	106.8760	0.417	2	106.8760	0.174	2	106.8760	0.174	2	106.4055	1.728	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:4:	3:2:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:O[6a]-2:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC){1|O<1>,3|C<3>}	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>}	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	107.0227	0.267	3	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:4:	3:2:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	107.3210	0.000	2	107.3210	0.000	2	107.3210	0.000	2	107.0227	0.267	3	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	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>}	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	107.7960	1.486	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|O<1>,3|C<3>}	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>}	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1	107.7960	1.486	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]S[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|S<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(S){1|H<1>,2|C<3>}	117.0870	0.038	2	117.0870	0.001	2	117.0870	0.001	2	117.0870	0.001	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[6a]-3:C[5,6a]-3:S[5]-2:	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[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5])	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[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5]){1|N<2>,1|O<1>,4|C<3>}	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>}	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN){1|H<1>,2|C<3>}	102.8215	0.269	2	102.8215	0.073	2	102.8215	0.073	2	101.6476	1.468	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(NOO){1|H<1>,2|C<3>}	100.8650	0.776	3	100.8650	0.602	3	100.8650	0.602	3	101.6476	1.468	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]Se[5]Si)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(C[5]Se[5]Si)(H){3|C<3>}	114.0120	0.040	2	114.0120	0.002	2	114.0120	0.002	2	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]C)(H){3|C<3>}	106.3557	0.281	3	106.3557	0.079	3	106.3557	0.079	3	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	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>}	110.8485	0.175	2	109.7820	1.044	5	109.7820	1.044	5	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	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>}	109.4060	0.000	1	109.7820	1.044	5	109.7820	1.044	5	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,1|O<1>,2|H<1>,3|C<3>}	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>}	109.2070	0.000	1	109.7820	1.044	5	109.7820	1.044	5	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Ru<6>,1|O<1>,2|H<1>,3|C<3>}	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>}	108.6000	0.000	1	109.7820	1.044	5	109.7820	1.044	5	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	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>}	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	109.3580	0.000	1	109.6565	0.178	2	109.6565	0.178	2	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	109.9550	0.000	1	109.6565	0.178	2	109.6565	0.178	2	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(N){2|C<3>,2|H<1>,2|N<2>}	108.3350	0.430	2	108.3350	0.185	2	108.3350	0.185	2	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	108.6050	0.000	1	108.6050	0.000	1	108.4119	0.192	31	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]N[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]N[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	107.3460	0.412	2	107.3460	0.169	2	108.4119	0.192	31	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	108.3965	0.275	2	108.3810	0.039	3	108.4119	0.192	31	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	108.3500	0.000	1	108.3810	0.039	3	108.4119	0.192	31	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|C<3>,2|H<1>,2|N<2>}	108.3330	0.016	2	108.5089	0.125	24	108.4119	0.192	31	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|C<3>,2|H<1>,2|N<2>}	108.5249	0.366	22	108.5089	0.125	24	108.4119	0.192	31	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|O<1>,2|I<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|I<1>,1|N<2>,3|C<3>}	108.1150	0.000	1	108.1150	0.000	1	108.4119	0.192	31	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	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>}	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	107.5316	0.325	5	107.5316	0.105	5	107.4790	0.084	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	107.3475	0.193	2	107.3475	0.037	2	107.4790	0.084	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[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>}	106.3570	0.000	1	106.3570	0.000	1	107.0007	0.543	3	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,2|C<3>}	106.8410	0.000	1	106.8410	0.000	1	107.0007	0.543	3	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|O<2>,2|C<3>}	107.8040	0.000	1	107.8040	0.000	1	107.0007	0.543	3	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|I<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(I){1|H<1>,2|C<3>}	106.5320	0.000	1	106.5320	0.000	1	106.5320	0.000	1	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[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>}	105.7047	0.133	3	105.8000	0.026	5	105.8020	0.053	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,4|C<3>}	105.9430	0.000	2	105.8000	0.026	5	105.8020	0.053	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	106.1340	0.000	1	106.1340	0.000	1	105.8020	0.053	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|H<1>,2|C<3>}	105.4800	0.000	1	105.4800	0.000	1	105.8020	0.053	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	107.1800	0.000	2	106.9935	0.117	11	106.9158	0.179	12	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	106.5540	0.000	1	106.9935	0.117	11	106.9158	0.179	12	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	106.8200	0.000	1	106.9935	0.117	11	106.9158	0.179	12	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	107.0277	0.381	7	106.9935	0.117	11	106.9158	0.179	12	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	106.0620	0.000	1	106.0620	0.000	1	106.9158	0.179	12	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	112.8870	0.000	1	112.8870	0.000	1	112.8870	0.000	1	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	113.1805	0.445	2	113.1805	0.198	2	112.8033	0.483	19	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[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>}	111.4890	0.199	2	111.4890	0.040	2	112.8033	0.483	19	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|Cl<1>,1|O<1>,2|C<3>}	C[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>}	112.3400	0.778	2	112.3400	0.605	2	112.8033	0.483	19	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[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>}	111.8560	0.000	1	111.8560	0.000	1	112.8033	0.483	19	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[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>}	112.6505	0.097	2	112.9003	0.192	3	112.8033	0.483	19	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,4|C<3>}	113.4000	0.000	1	112.9003	0.192	3	112.8033	0.483	19	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	112.6750	0.000	1	113.1873	0.130	9	112.8033	0.483	19	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	113.2514	0.327	8	113.1873	0.130	9	112.8033	0.483	19	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H){1|H<1>,2|C<3>}	109.5065	0.985	2	109.5065	0.970	2	109.5065	0.970	2	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]Si)(H){1|B<3>,2|C<3>}	112.7450	0.000	1	112.7450	0.000	1	113.6016	1.520	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	114.4790	2.345	2	114.4790	5.498	2	113.6016	1.520	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H){1|H<1>,2|C<3>}	113.1845	0.194	2	113.1845	0.038	2	113.6016	1.520	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,3|H<1>}	C[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>}	114.2630	0.000	1	114.2630	0.000	1	113.6016	1.520	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	112.8760	0.000	1	112.8760	0.000	1	113.6016	1.520	7	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	114.8210	0.341	2	114.8210	0.116	2	115.1410	0.365	3	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H){1|H<1>,2|C<3>}	115.7810	0.000	1	115.7810	0.000	1	115.1410	0.365	3	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	115.6000	0.000	1	115.6000	0.000	1	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	115.3930	0.000	1	115.3930	0.000	1	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	114.8370	0.000	1	114.8370	0.000	1	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	116.3045	0.650	6	116.3045	0.422	6	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	116.0560	0.089	2	116.0469	0.092	12	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	115.8307	0.269	3	116.0469	0.092	12	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	116.1583	0.360	6	116.0469	0.092	12	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	116.0090	0.000	1	116.0469	0.092	12	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	114.8040	0.000	1	115.5263	0.901	4	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	115.7670	1.002	3	115.5263	0.901	4	115.9330	0.378	25	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5]){3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	113.7140	0.000	1	113.7140	0.000	1	113.7140	0.000	1	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H){3|C<3>}	105.9440	0.000	1	106.0205	0.012	2	106.0205	0.012	2	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H){3|C<3>}	106.0970	0.000	1	106.0205	0.012	2	106.0205	0.012	2	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H){5|C<3>}	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	110.6348	12.756	138	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<2>,2|H<1>}	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>}	105.6580	0.000	1	105.6580	0.000	1	105.6580	0.000	1	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|C<3>,2|H<1>,2|N<2>}	108.8017	0.630	8	108.8017	0.397	8	108.4865	0.464	20	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	108.3207	0.556	10	108.3207	0.309	10	108.4865	0.464	20	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(NN[5a]){2|C<3>,2|H<1>,2|N<2>}	108.0545	1.350	2	108.0545	1.822	2	108.4865	0.464	20	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|C<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CN){3|C<3>}	105.9390	0.000	1	105.9390	0.000	1	105.9390	0.000	1	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]){1|C<4>,2|C<3>}	106.8780	0.000	1	106.8780	0.000	1	105.3481	0.640	7	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[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>}	104.9825	0.135	2	104.9825	0.018	2	105.3481	0.640	7	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[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>}	105.1810	0.000	1	105.0735	0.023	2	105.3481	0.640	7	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[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>}	104.9660	0.000	1	105.0735	0.023	2	105.3481	0.640	7	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|H<1>,2|C<3>}	104.5130	0.000	1	104.5130	0.000	1	105.3481	0.640	7	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,2|C<3>}	105.9340	0.000	1	105.9340	0.000	1	105.3481	0.640	7	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC){1|H<1>,2|C<3>}	106.2000	0.000	1	106.2000	0.000	1	106.2000	0.000	1	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH){1|H<1>,2|C<3>}	106.6420	0.000	1	106.6420	0.000	1	106.6420	0.000	1	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SC){1|H<1>,2|C<3>}	113.7340	0.000	1	113.7340	0.000	1	113.7340	0.000	1	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SeC){1|H<1>,2|C<3>}	113.4050	0.010	2	113.4050	0.000	2	113.4050	0.000	2	108.0044	5.235	34	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	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>}	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CSS){2|C<3>,2|H<1>,2|N<2>}	109.1589	0.277	8	109.1589	0.077	8	109.1589	0.077	8	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	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>}	108.5492	0.406	12	108.5492	0.164	12	108.5492	0.164	12	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(NPdN){2|C<3>,2|H<1>,2|N<2>}	108.0347	1.725	3	108.0347	2.975	3	108.0347	2.975	3	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:O[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(O[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CHH){1|H<1>,1|O<2>,4|C<3>}	106.3860	0.000	1	106.3860	0.000	1	106.3860	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[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>}	106.3965	0.262	2	106.3965	0.069	2	106.3965	0.069	2	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[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>}	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[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>}	106.5890	0.000	1	106.5890	0.000	1	106.5090	0.005	3	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[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>}	106.4690	0.000	2	106.4690	0.000	2	106.5090	0.005	3	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[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>}	105.6840	0.000	1	105.6840	0.000	1	105.6840	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.3380	0.000	1	106.4635	0.032	2	106.4635	0.032	2	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[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>}	106.5890	0.000	1	106.4635	0.032	2	106.4635	0.032	2	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,1|N<2>,4|C<3>}	106.8610	0.000	1	106.8610	0.000	1	106.8610	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[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>}	105.5250	0.000	1	105.5250	0.000	1	105.5250	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C){1|H<1>,2|C<3>}	106.5000	0.000	1	106.5000	0.000	1	106.5370	0.120	5	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCC){1|H<1>,2|C<3>}	106.9520	0.000	1	106.9520	0.000	1	106.5370	0.120	5	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH){1|H<1>,2|C<3>}	106.0050	0.000	1	106.0050	0.000	1	106.5370	0.120	5	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]O){1|H<1>,2|C<3>}	106.6140	0.113	2	106.6140	0.013	2	106.5370	0.120	5	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O){1|H<1>,2|C<3>}	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O){1|H<1>,2|C<3>}	106.4515	0.026	2	106.4515	0.001	2	106.4515	0.001	2	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H){1|H<1>,2|C<3>}	106.3715	0.252	2	106.3715	0.064	2	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[3]2){3|C<3>}	107.1060	0.000	1	107.1060	0.000	1	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	106.6200	0.000	1	106.6263	0.009	3	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	106.6295	0.132	2	106.6263	0.009	3	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H){1|H<1>,2|C<3>}	106.0280	0.000	1	106.0280	0.000	1	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	107.8270	0.000	1	107.0153	0.344	4	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	106.7447	0.276	3	107.0153	0.344	4	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N){1|H<1>,2|C<3>}	105.7050	0.100	2	105.7050	0.010	2	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	105.9760	0.000	1	105.9490	0.001	2	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	105.9220	0.000	1	105.9490	0.001	2	106.4750	0.337	15	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[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>}	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|Zn<5>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Zn)(COO){1|H<1>,2|C<3>}	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5]){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCC){1|O<1>,2|N<3>}	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O[6a]-2:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(O[6a]C[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(O[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	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>}	107.0250	0.000	1	107.0250	0.000	1	107.0250	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,1|I<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(COO){3|C<3>}	105.6260	0.000	1	105.6260	0.000	1	105.6260	0.000	1	107.2901	1.772	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	106.1460	0.000	1	106.1460	0.000	1	106.7590	0.386	9	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|H<1>,2|C<3>}	106.6550	0.000	1	106.6550	0.000	1	106.7590	0.386	9	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO){1|H<1>,2|C<3>}	106.0860	0.000	1	106.0860	0.000	1	106.7590	0.386	9	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	107.2620	0.000	1	107.3225	0.160	4	106.7590	0.386	9	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	107.0615	0.009	2	107.3225	0.160	4	106.7590	0.386	9	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	107.9050	0.000	1	107.3225	0.160	4	106.7590	0.386	9	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO){1|H<1>,2|C<3>}	106.5760	0.000	1	106.5760	0.000	1	106.7590	0.386	9	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|N<3>,2|C<3>}	106.0780	0.000	1	106.0780	0.000	1	106.7590	0.386	9	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,4|C<3>}	C[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>}	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	106.5320	0.000	1	106.5320	0.000	1	106.5320	0.000	1	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH){1|H<1>,2|C<3>}	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	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[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	C[5](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[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH){3|C<3>}	106.4660	0.000	1	106.4660	0.000	1	105.8050	0.379	3	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	105.7010	0.000	1	105.4745	0.103	2	105.8050	0.379	3	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	105.2480	0.000	1	105.4745	0.103	2	105.8050	0.379	3	107.1856	4.436	16	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[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>}	107.2720	0.000	1	107.2720	0.000	1	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[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>}	107.4210	0.000	1	107.4210	0.000	1	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<1>,2|C<3>,3|C<4>}	C[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>}	106.7710	0.000	1	106.7710	0.000	1	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5,5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[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>}	106.5190	0.000	1	106.5190	0.000	1	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,5]){1|O<1>,2|H<1>,3|C<3>}	C[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>}	106.8200	0.000	1	106.8200	0.000	1	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	106.4050	0.000	1	107.0492	0.181	10	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	106.8200	0.000	1	107.0492	0.181	10	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.1050	0.000	1	107.0492	0.181	10	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|H<1>,5|C<3>}	106.8525	0.221	2	107.0492	0.181	10	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.0550	0.151	2	107.0492	0.181	10	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.4490	0.515	3	107.0492	0.181	10	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[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>}	106.9575	0.032	2	107.0473	0.015	4	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[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>}	107.1370	0.112	2	107.0473	0.015	4	107.0255	0.126	19	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	106.8885	0.012	2	107.0373	0.075	13	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	106.8675	0.090	2	107.0373	0.075	13	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.0650	0.477	2	107.0373	0.075	13	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.2615	0.115	2	107.0373	0.075	13	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	106.9770	0.313	4	107.0373	0.075	13	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|H<1>,3|C<3>}	C[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>}	107.4120	0.000	1	107.0373	0.075	13	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	C[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>}	107.8480	0.000	1	107.8480	0.000	1	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[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>}	107.3734	0.270	19	107.4109	0.156	21	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(O[5]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|O<2>,5|C<3>}	107.7665	1.234	2	107.4109	0.156	21	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[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>}	106.5330	0.000	1	106.5330	0.000	1	107.2637	0.172	36	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[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>}	113.2660	0.519	3	113.2660	0.269	3	113.2660	0.269	3	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	113.5400	0.000	1	113.5400	0.000	1	113.5400	0.000	1	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	107.1165	0.211	2	107.0870	0.031	4	107.0870	0.031	4	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	107.0575	0.210	2	107.0870	0.031	4	107.0870	0.031	4	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.7875	0.040	2	107.7875	0.002	2	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.3390	0.506	2	107.3390	0.256	2	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[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>}	107.3280	0.000	1	107.3280	0.000	1	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(O){1|H<1>,6|C<3>}	107.9900	0.000	1	107.9900	0.000	1	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(O){1|H<1>,4|C<3>}	107.3720	0.000	1	107.3720	0.000	1	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	106.9340	0.000	1	107.0194	0.127	9	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	106.9642	0.283	5	107.0194	0.127	9	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	106.8195	0.118	2	107.0194	0.127	9	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	107.7810	0.000	1	107.0194	0.127	9	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	107.1270	0.000	1	107.2455	0.028	2	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	107.3640	0.000	1	107.2455	0.028	2	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(O){1|H<1>,2|C<3>}	107.5330	0.000	1	107.5330	0.000	1	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(O){1|H<1>,2|C<3>}	107.5340	0.000	1	107.5340	0.000	1	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(O){1|H<1>,2|C<3>}	106.7920	0.000	1	106.7920	0.000	1	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	106.1500	0.000	1	106.1500	0.000	1	107.2099	0.214	22	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(O){1|H<1>,2|C<3>}	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O){1|H<1>,2|C<3>}	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O){3|C<3>}	105.4360	0.000	1	105.4360	0.000	1	106.0068	0.721	6	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O){3|C<3>}	106.1210	0.896	5	106.1210	0.804	5	106.0068	0.721	6	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	105.3192	1.388	4	105.3192	1.927	4	105.8253	1.810	6	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]O)(O){5|C<3>}	106.8375	0.443	2	106.8375	0.197	2	105.8253	1.810	6	107.3549	2.492	99	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH)	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C){1|C<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH){1|C<3>,1|N<3>,1|S<2>}	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[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>}	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,3|C<3>}	C[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>}	106.3020	0.000	1	106.3020	0.000	1	106.3020	0.000	1	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|H<1>,4|C<3>}	C[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>}	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[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>}	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH){2|H<1>,4|C<3>}	107.6750	0.000	1	107.6750	0.000	1	107.7295	0.169	12	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[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>}	107.7035	0.451	4	107.7035	0.203	4	107.7295	0.169	12	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH){1|H<1>,4|C<3>}	107.7280	0.000	1	107.7280	0.000	1	107.7295	0.169	12	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	107.8438	0.461	4	107.8438	0.213	4	107.7295	0.169	12	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H){1|H<1>,2|C<3>}	107.0780	0.000	1	107.0780	0.000	1	107.7295	0.169	12	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH){1|H<1>,2|C<3>}	108.0840	0.000	1	108.0840	0.000	1	107.7295	0.169	12	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H){3|C<3>}	106.5290	0.000	1	106.5290	0.000	1	106.5290	0.000	1	107.5772	0.337	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.4770	0.000	1	107.4375	0.003	2	107.4375	0.003	2	111.4122	9.624	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.3980	0.000	1	107.4375	0.003	2	107.4375	0.003	2	111.4122	9.624	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.2210	0.000	1	107.0140	0.086	2	107.0140	0.086	2	111.4122	9.624	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	106.8070	0.000	1	107.0140	0.086	2	107.0140	0.086	2	111.4122	9.624	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	113.4695	0.148	2	113.4920	0.071	7	113.5054	0.063	8	111.4122	9.624	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	113.7183	0.101	3	113.4920	0.071	7	113.5054	0.063	8	111.4122	9.624	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	113.1750	0.174	2	113.4920	0.071	7	113.5054	0.063	8	111.4122	9.624	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	113.5990	0.000	1	113.5990	0.000	1	113.5054	0.063	8	111.4122	9.624	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[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>}	105.5940	0.000	1	105.5940	0.000	1	105.5940	0.000	1	105.5940	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,4|C<3>}	C[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>}	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	107.3545	2.232	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[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>}	106.2980	0.000	1	106.2980	0.000	1	106.2980	0.000	1	107.3545	2.232	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O)	C[5](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[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[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	107.7080	0.259	4	107.7080	0.067	4	107.7080	0.067	4	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	108.8240	0.000	1	108.4710	0.249	2	108.4710	0.249	2	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	108.1180	0.000	1	108.4710	0.249	2	108.4710	0.249	2	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:As[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(As[5]O[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(As[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5])(O){1|H<1>,1|O<2>,2|C<3>}	115.9200	0.000	1	115.9200	0.000	1	115.9200	0.000	1	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>}	110.3455	0.118	2	110.3455	0.014	2	110.3455	0.014	2	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){1|H<1>,3|C<3>}	103.8285	0.326	2	103.8285	0.106	2	103.8285	0.106	2	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	105.8350	0.000	1	105.8350	0.000	1	105.8350	0.000	1	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]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]C[5,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.6027	0.534	7	107.6027	0.286	7	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]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]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	108.3115	0.292	2	108.0505	0.123	4	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]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]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.7895	0.107	2	108.0505	0.123	4	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.6090	0.231	2	107.6090	0.053	2	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]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]C[6a]Br)(C[5]O[5]O){2|Br<1>,1|C<3>,1|O<1>}	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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,1|O<1>,2|C<3>}	107.8937	0.231	16	107.8937	0.053	16	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	108.1810	0.000	1	108.1810	0.000	1	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]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]C[6a]Cl)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>}	107.8485	0.149	2	107.8485	0.022	2	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.9420	0.000	1	107.9420	0.000	1	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	108.3070	0.000	1	108.2081	0.154	11	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	108.2348	0.419	9	108.2081	0.154	11	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	107.8690	0.000	1	108.2081	0.154	11	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<2>,2|C<3>}	108.4410	0.000	1	108.4410	0.000	1	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	108.2090	0.338	2	107.8939	0.098	12	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.7600	0.000	1	107.8939	0.098	12	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	108.1940	0.453	2	107.8939	0.098	12	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.8715	0.265	2	107.8939	0.098	12	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.6895	0.060	2	107.8939	0.098	12	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.6790	0.263	2	107.8939	0.098	12	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.6810	0.000	1	107.8939	0.098	12	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]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]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	107.2630	0.591	2	107.2630	0.349	2	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]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]C[6a]N)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	108.6505	0.548	2	108.6505	0.300	2	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,3|C<3>}	108.1300	0.000	1	108.1300	0.000	1	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	108.9050	0.000	1	108.9050	0.000	1	107.9536	0.183	63	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:I[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|C<2>,1|H<1>,2|C<3>}	120.5830	0.000	1	120.5830	0.000	1	119.5925	1.962	2	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:I[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,1|O<2>,2|C<3>}	118.6020	0.000	1	118.6020	0.000	1	119.5925	1.962	2	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	108.2850	0.000	1	108.2850	0.000	1	108.2850	0.000	1	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<1>,3|C<3>}	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	108.2804	5.009	79	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,3|C<3>}	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(SC){1|H<1>,3|C<3>}	104.3535	0.111	2	104.3535	0.012	2	104.3535	0.012	2	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	106.5307	1.029	3	106.5307	1.060	3	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,1|N<2>,2|C<3>}	107.0475	1.525	24	107.0475	2.324	24	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	106.1290	0.473	8	106.1588	0.161	11	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	106.2383	0.088	3	106.1588	0.161	11	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]){1|H<1>,1|N<3>,2|C<3>}	105.7510	0.141	2	105.7510	0.020	2	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	106.5240	0.000	1	107.4988	0.596	8	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	108.1157	0.557	4	107.4988	0.596	8	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	107.0010	0.120	3	107.4988	0.596	8	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH){1|H<1>,1|N<3>,2|C<3>}	106.2450	0.065	3	106.2450	0.004	3	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	105.9967	0.438	6	105.9967	0.192	6	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|S<2>,2|C<3>}	105.8900	0.537	2	105.8900	0.289	2	106.6858	1.390	59	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN){1|H<1>,1|O<1>,2|C<3>}	107.1890	0.000	1	107.1890	0.000	1	107.1890	0.000	1	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5]){1|C<4>,1|H<1>,2|C<3>}	105.9730	0.079	2	105.9730	0.006	2	105.9730	0.006	2	106.5976	1.443	65	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]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[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[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>}	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,3|C<3>}	105.8900	0.000	1	105.8900	0.000	1	105.8900	0.000	1	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5])	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(COO){1|H<1>,3|C<3>}	104.4870	0.153	2	104.4870	0.023	2	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	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[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[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>}	106.7150	0.365	2	106.7150	0.133	2	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCC){1|H<1>,3|C<3>}	105.4610	0.000	1	105.4610	0.000	1	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,3|C<3>}	105.5380	0.000	1	105.5380	0.000	1	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H){1|H<1>,3|C<3>}	105.9283	0.819	3	105.9283	0.670	3	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN){1|Cl<1>,1|H<1>,2|C<3>}	106.1385	0.363	2	106.1385	0.132	2	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	105.1020	0.110	2	105.1020	0.012	2	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	105.4670	0.000	1	105.3570	0.024	2	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	105.2470	0.000	1	105.3570	0.024	2	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	106.0920	0.048	2	106.0920	0.002	2	105.6804	0.534	17	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH){1|H<1>,3|C<3>}	105.2207	0.111	3	105.2207	0.012	3	105.2143	0.165	16	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,3|C<3>}	105.5550	0.000	1	105.5550	0.000	1	105.2143	0.165	16	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	105.1005	0.019	2	105.1005	0.000	2	105.2143	0.165	16	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	104.4995	0.122	2	104.4995	0.015	2	105.2143	0.165	16	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,1|N<2>,2|C<3>}	105.0510	0.000	1	105.3765	0.151	8	105.2143	0.165	16	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,1|N<2>,2|C<3>}	105.4230	0.396	7	105.3765	0.151	8	105.2143	0.165	16	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC){1|H<1>,1|O<1>,2|C<3>}	106.8695	0.162	2	106.8695	0.026	2	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	107.2310	0.000	1	107.3260	0.089	3	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	107.0870	0.000	1	107.3260	0.089	3	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	107.6600	0.000	1	107.3260	0.089	3	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI){1|H<1>,1|O<1>,2|C<3>}	106.7270	0.000	1	106.7270	0.000	1	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[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>}	107.6735	0.149	2	107.6735	0.022	2	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[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>}	107.5570	0.298	2	107.5570	0.089	2	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO){1|H<1>,1|O<1>,2|C<3>}	106.7740	0.000	1	106.7740	0.000	1	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH){1|H<1>,1|O<1>,2|C<3>}	107.9240	0.000	1	107.9240	0.000	1	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	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[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[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>}	107.0160	0.000	1	107.0160	0.000	1	107.2784	0.181	13	105.9911	1.004	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C)	C[5](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[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[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	114.7588	0.578	4	114.7588	0.335	4	114.5557	0.304	6	114.5557	0.304	6	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C)	C[5](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[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[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3){1|C<4>,3|C<3>}	114.1495	0.152	2	114.1495	0.023	2	114.5557	0.304	6	114.5557	0.304	6	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	109.4630	5.835	64	109.4630	34.046	64	109.4630	34.046	64	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])	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,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	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>}	108.5582	0.637	6	108.5582	0.406	6	108.5279	0.345	7	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	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[5,6a]C[5,6a]2)(C[5]C[5,6a]O){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|H<1>,5|C<3>}	108.3460	0.000	1	108.3460	0.000	1	108.5279	0.345	7	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	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[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	108.1950	0.000	1	108.1950	0.000	1	108.4190	0.100	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	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[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<3>}	108.6430	0.000	1	108.6430	0.000	1	108.4190	0.100	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[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>}	109.1870	0.683	2	109.1870	0.467	2	109.1870	0.467	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	109.0455	0.507	2	109.3210	0.356	3	109.3210	0.356	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	109.8720	0.000	1	109.3210	0.356	3	109.3210	0.356	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[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>}	110.0640	0.000	1	110.0640	0.000	1	109.8690	0.076	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[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>}	109.6740	0.000	1	109.6740	0.000	1	109.8690	0.076	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.9730	0.000	1	109.9730	0.000	1	109.9772	0.257	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.6600	0.000	1	110.3390	0.922	2	109.9772	0.257	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[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>}	111.0180	0.000	1	110.3390	0.922	2	109.9772	0.257	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[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>}	110.1810	0.000	1	110.1810	0.000	1	109.9772	0.257	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.9350	0.595	5	109.9350	0.354	5	109.9772	0.257	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.7040	0.018	2	109.7397	0.004	3	109.9772	0.257	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.8110	0.000	1	109.7397	0.004	3	109.9772	0.257	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	110.1630	0.000	1	109.7637	0.085	7	109.6760	0.095	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.8960	0.030	3	109.7637	0.085	7	109.6760	0.095	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	109.7170	0.000	1	109.7637	0.085	7	109.6760	0.095	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,5|C<3>}	109.4710	0.000	1	109.7637	0.085	7	109.6760	0.095	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	109.3070	0.000	1	109.7637	0.085	7	109.6760	0.095	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.3690	0.081	2	109.3690	0.006	2	109.6760	0.095	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	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[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[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>}	108.7475	0.258	2	108.7475	0.067	2	107.8758	1.556	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	107.0040	1.250	2	107.0040	1.563	2	107.8758	1.556	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl){1|H<1>,5|C<3>}	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	107.0140	0.000	1	107.0140	0.000	1	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.1950	0.000	1	108.4370	0.045	3	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.5580	0.055	2	108.4370	0.045	3	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.0780	0.000	1	108.5297	0.098	10	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.7670	0.342	4	108.5297	0.098	10	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.2510	0.000	1	108.5297	0.098	10	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.5310	0.000	1	108.5297	0.098	10	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.4563	0.041	3	108.5297	0.098	10	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	107.8850	0.000	1	108.0600	0.061	2	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.2350	0.000	1	108.0600	0.061	2	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.0380	0.321	4	107.9423	0.068	7	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	107.8147	0.080	3	107.9423	0.068	7	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[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[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>}	107.8430	0.000	1	107.8430	0.000	1	108.2159	0.205	24	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	109.5185	0.121	2	109.2175	0.126	4	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.9165	0.033	2	109.2175	0.126	4	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.3705	0.436	2	108.3564	0.074	8	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.2207	0.303	3	108.3564	0.074	8	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.4230	0.000	1	108.3564	0.074	8	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.5125	0.182	2	108.3564	0.074	8	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.1140	0.000	1	108.5262	0.196	9	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.8397	0.385	4	108.5262	0.196	9	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.3157	0.359	4	108.5262	0.196	9	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	109.1910	0.031	2	109.2126	0.357	5	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){3|H<1>,4|C<3>}	110.1760	0.000	1	109.2126	0.357	5	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|H<1>,5|C<3>}	108.7525	0.274	2	109.2126	0.357	5	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	109.6580	0.000	1	109.6580	0.000	1	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.0950	0.000	1	107.8568	0.160	10	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	108.3075	0.005	2	107.8568	0.160	10	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	107.9385	0.251	4	107.8568	0.160	10	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-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[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	107.3680	0.145	3	107.8568	0.160	10	108.5066	0.433	37	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]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[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[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>}	108.6120	0.057	2	109.3097	1.462	3	108.4842	1.469	6	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,5|C<3>}	110.7050	0.000	1	109.3097	1.462	3	108.4842	1.469	6	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]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[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[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>}	107.6587	0.409	3	107.6587	0.167	3	108.4842	1.469	6	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){1|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	108.6120	0.000	1	108.6120	0.000	1	107.6087	0.755	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[5,6a]-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]Si)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|Si<4>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	107.1280	0.000	1	107.1280	0.000	1	107.6087	0.755	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[5,6a]-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]Si)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	107.0860	0.000	1	107.0860	0.000	1	107.6087	0.755	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H){1|H<1>,4|C<3>}	110.4640	0.000	1	110.4640	0.000	1	109.8195	0.831	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.1750	0.000	1	109.1750	0.000	1	109.8195	0.831	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	108.2810	0.000	1	107.7283	0.154	6	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	107.6178	0.318	5	107.7283	0.154	6	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	107.9900	0.000	1	107.9900	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	106.8960	0.000	1	106.8960	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Cl<1>,1|H<1>,4|C<3>}	108.1370	0.000	1	108.1370	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,3|C<3>,3|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|F<1>,1|O<2>,4|C<3>}	108.8900	0.000	1	108.8900	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.6620	0.071	2	108.6620	0.005	2	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.2610	0.112	2	109.2957	0.010	3	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	109.3650	0.000	1	109.2957	0.010	3	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[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>}	109.2230	0.000	1	109.2230	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.9625	0.345	6	109.8991	0.127	7	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|H<1>,5|C<3>}	109.5190	0.000	1	109.8991	0.127	7	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,4|C<3>}	109.2620	0.000	1	109.2620	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.4195	0.258	2	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.5880	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.9980	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.6300	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	108.9640	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.7100	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.0250	0.390	2	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.8070	0.645	2	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	109.1680	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.9145	0.232	4	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.2740	0.634	2	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.2710	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Cl<1>,1|H<1>,4|C<3>}	108.6150	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.6230	0.669	2	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.0850	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.0710	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.0750	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.2500	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	108.8950	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	109.5247	0.286	8	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.2090	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.8634	0.106	5	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,4|C<3>}	108.6260	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	109.2870	1.584	2	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	108.2010	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	108.9730	0.000	1	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.6274	0.377	17	108.9847	0.305	63	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[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>}	109.1030	0.000	1	108.6140	0.142	5	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[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>}	108.4917	0.300	4	108.6140	0.142	5	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.3830	0.000	1	109.0940	0.166	13	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.5405	0.054	2	109.0940	0.166	13	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.8955	0.018	2	109.0940	0.166	13	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.9959	0.440	8	109.0940	0.166	13	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a]){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.5560	0.000	1	108.5560	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[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>}	108.1850	0.000	1	108.1850	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.1450	0.000	1	109.1450	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	110.3784	0.660	5	110.2067	0.526	6	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.3480	0.000	1	110.2067	0.526	6	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	109.0040	0.000	1	109.2605	0.130	13	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	109.0950	0.144	2	109.2605	0.130	13	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	109.8590	0.112	2	109.2605	0.130	13	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	109.1844	0.303	8	109.2605	0.130	13	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.8143	0.434	4	108.8143	0.189	4	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|I<1>,1|N<2>,3|C<3>}	109.1310	0.000	1	109.1310	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.9540	0.000	1	108.9540	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	109.2300	0.000	1	108.7115	0.538	2	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.1930	0.000	1	108.7115	0.538	2	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	109.2220	0.000	1	109.5637	0.187	3	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	110.0500	0.000	1	109.5637	0.187	3	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	109.4190	0.000	1	109.5637	0.187	3	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|F<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|F<1>,1|O<2>,4|C<3>}	108.4780	0.000	1	108.4780	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	108.8620	0.000	1	109.6910	0.576	6	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	109.8568	0.717	5	109.6910	0.576	6	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]N[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	107.3400	0.000	1	107.3400	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	108.9390	0.000	1	108.9390	0.000	1	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5]C[5,6a]O)(C[6a]O[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.4873	0.738	4	108.4873	0.544	4	109.0227	0.499	151	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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,6a]-3:C[5,6a]-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]C[6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|C<4>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|C<4>,4|C<3>}	108.7767	0.370	6	108.7767	0.137	6	108.8178	0.109	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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,6a]-3:C[5,6a]-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]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.9410	0.195	2	108.9410	0.038	2	108.8178	0.109	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.9835	0.142	2	108.9835	0.020	2	108.6139	0.456	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O){2|H<1>,4|C<3>}	108.5945	0.255	2	108.5945	0.065	2	108.6139	0.456	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[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>}	108.3440	0.000	1	108.4738	0.798	5	108.6139	0.456	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	107.6665	0.047	2	108.4738	0.798	5	108.6139	0.456	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[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>}	108.9280	0.000	1	108.4738	0.798	5	108.6139	0.456	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[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>}	109.7640	0.000	1	108.4738	0.798	5	108.6139	0.456	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[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>}	104.6895	0.029	2	104.6895	0.001	2	105.5408	0.967	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[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>}	106.3920	0.028	2	106.3920	0.001	2	105.5408	0.967	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a]H)	C[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	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[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	109.6420	0.000	1	109.6420	0.000	1	109.9767	0.745	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[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>}	109.3310	0.000	1	109.3310	0.000	1	109.9767	0.745	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	110.9570	0.000	1	110.9570	0.000	1	109.9767	0.745	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	108.9830	0.311	2	108.9830	0.097	2	109.1145	0.177	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>}	108.8180	0.000	1	108.8180	0.000	1	109.1145	0.177	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5](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[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	109.6740	0.000	1	109.6740	0.000	1	109.1145	0.177	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[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>}	104.5058	0.592	4	104.5058	0.350	4	104.5058	0.350	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|Cl<1>,4|C<3>}	108.5730	0.069	2	108.5730	0.005	2	108.7927	0.147	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|H<1>,4|C<3>}	109.2320	0.000	1	109.2320	0.000	1	108.7927	0.147	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){2|H<1>,4|C<3>}	113.6800	0.000	1	113.6800	0.000	1	113.6800	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	107.6915	0.118	2	107.6915	0.014	2	107.6915	0.014	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	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[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	108.3370	0.327	2	108.3370	0.107	2	108.4147	0.071	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]Si)(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|Si<4>,1|N<3>,1|O<1>,4|C<3>}	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[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]Si)(O){1|O<1>,3|C<3>}	108.5700	0.000	1	108.5700	0.000	1	108.4147	0.071	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	C[5](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[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]O){2|N<3>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	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>}	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	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[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[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>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5a,6a]-3:C[5]-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[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	108.1325	0.390	2	108.1325	0.152	2	107.8343	0.343	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5a,6a]-3:C[5]-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[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|Si<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]Si)(O){1|O<1>,3|C<3>}	107.2380	0.000	1	107.2380	0.000	1	107.8343	0.343	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[6,6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5](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[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[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>}	107.7545	0.712	8	107.7545	0.506	8	107.8622	0.449	10	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[6,6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5](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[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[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>}	108.2930	0.181	2	108.2930	0.033	2	107.8622	0.449	10	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5](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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){2|H<1>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H){6|C<3>}	109.4849	0.224	12	109.4849	0.050	12	109.4849	0.050	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](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[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[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>}	107.0490	0.119	2	107.0490	0.014	2	107.0490	0.014	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-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[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	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[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[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>}	108.1460	0.000	1	108.1460	0.000	1	107.5520	0.265	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-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[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	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[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[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>}	107.2550	0.006	2	107.2550	0.000	2	107.5520	0.265	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:As[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]C[6a])(H){1|H<1>,5|C<3>}	114.7500	0.033	2	114.7500	0.001	2	114.7500	0.001	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	108.6530	0.000	1	108.6530	0.000	1	107.9735	0.923	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	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>}	107.2940	0.000	1	107.2940	0.000	1	107.9735	0.923	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	108.4423	0.236	3	108.4423	0.056	3	108.1914	0.394	10	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	108.0453	0.306	3	108.0453	0.093	3	108.1914	0.394	10	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,4|C<3>}	106.7530	0.000	1	106.7530	0.000	1	108.1914	0.394	10	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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]O[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	108.3600	0.505	2	108.3600	0.255	2	108.1914	0.394	10	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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]O[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.9780	0.000	1	108.9780	0.000	1	108.1914	0.394	10	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	107.6080	0.000	1	107.6080	0.000	1	108.2243	0.285	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	108.1170	0.000	1	108.1170	0.000	1	108.2243	0.285	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	108.5860	0.448	2	108.5860	0.201	2	108.2243	0.285	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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]C)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){6|C<3>}	107.5650	0.000	1	107.5650	0.000	1	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	107.3280	0.361	2	107.3280	0.130	2	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,3|C<3>}	108.7495	0.209	2	108.7495	0.044	2	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,5|C<3>}	107.6580	0.044	2	107.6580	0.002	2	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]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|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<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>}	107.2047	0.436	3	107.4433	0.147	9	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]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|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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]C[5]C)(O){1|H<1>,3|C<3>}	107.7130	0.000	1	107.4433	0.147	9	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]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|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,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>}	107.5270	0.000	1	107.4433	0.147	9	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]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>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,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>}	107.6890	0.000	1	107.4433	0.147	9	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	107.5810	0.000	1	107.4433	0.147	9	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]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){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,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>}	107.4330	0.680	2	107.4433	0.147	9	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,3|C<3>}	107.6829	0.167	7	107.6829	0.028	7	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O){1|H<1>,3|C<3>}	107.4110	0.000	1	107.4110	0.000	1	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	107.4690	0.000	1	107.8373	0.107	3	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	108.0970	0.000	1	107.8373	0.107	3	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	107.9460	0.000	1	107.8373	0.107	3	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	107.4650	0.024	2	107.5670	0.024	4	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	107.6690	0.173	2	107.5670	0.024	4	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	107.8760	0.000	1	107.8760	0.000	1	107.6523	0.163	32	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[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[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	108.4975	0.521	2	108.4975	0.272	2	108.4975	0.272	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	108.7565	0.585	2	108.5847	0.153	4	108.5847	0.153	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(O){6|C<3>}	108.4130	0.000	2	108.5847	0.153	4	108.5847	0.153	4	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	108.4950	0.000	1	108.4950	0.000	1	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.2100	0.000	1	108.3325	0.030	2	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	108.4550	0.000	1	108.3325	0.030	2	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	107.7070	0.474	2	108.1965	0.396	4	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	108.7430	0.000	1	108.1965	0.396	4	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	108.6290	0.000	1	108.1965	0.396	4	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	107.4965	0.462	2	107.5610	0.119	3	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	107.6900	0.000	1	107.5610	0.119	3	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	109.1330	0.000	1	109.1330	0.000	1	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|H<1>,3|C<3>}	107.7170	0.175	2	107.7170	0.031	2	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	108.0460	0.582	4	108.0460	0.338	4	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|O<1>,2|C<3>}	109.3950	0.000	1	109.3950	0.000	1	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<3>,2|C<3>}	108.1470	0.000	1	107.8080	0.119	4	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<4>,2|C<3>}	107.6950	0.318	3	107.8080	0.119	4	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	107.8093	0.456	3	108.1808	0.166	8	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	108.4036	0.147	5	108.1808	0.166	8	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){1|H<1>,1|P<4>,2|C<3>}	108.4370	0.119	2	108.4370	0.014	2	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,2|C<3>}	108.7940	0.000	1	108.7940	0.000	1	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>}	111.2585	0.211	2	111.2585	0.045	2	108.3325	0.808	35	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){1|H<1>,5|C<3>}	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,3|C<3>}	107.1170	0.188	2	107.1170	0.035	2	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	106.8200	0.000	1	109.1640	0.728	20	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	106.9850	0.000	1	109.1640	0.728	20	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	109.3295	0.301	2	109.1640	0.728	20	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	109.4260	0.395	16	109.1640	0.728	20	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O){1|H<1>,3|C<3>}	108.9570	0.000	1	108.9570	0.000	1	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(O){1|H<1>,3|C<3>}	109.1810	0.000	1	109.1810	0.000	1	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	107.8370	0.000	1	108.3497	0.197	3	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	108.6060	0.023	2	108.3497	0.197	3	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){2|C<3>,2|H<1>}	107.2040	0.000	1	107.2040	0.000	1	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[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>}	107.0760	0.288	3	107.0760	0.083	3	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	108.2940	0.000	1	108.5382	0.236	5	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	108.5992	0.539	4	108.5382	0.236	5	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|N<3>,2|C<3>}	110.3671	0.309	8	110.3671	0.096	8	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.1730	0.000	1	107.1730	0.000	1	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.8552	0.222	4	108.2370	0.437	7	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.1620	0.280	2	108.2370	0.437	7	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	107.9140	0.000	1	108.2370	0.437	7	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.7445	0.139	4	108.9937	0.889	56	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	107.2985	0.520	4	108.9937	0.889	56	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	109.4014	0.652	42	108.9937	0.889	56	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	108.1028	0.468	6	108.9937	0.889	56	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.6985	0.223	2	109.0403	0.438	14	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.0171	0.604	11	109.0403	0.438	14	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.9790	0.000	1	109.0403	0.438	14	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	109.7890	0.395	6	109.8374	0.147	7	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<2>,2|C<3>}	110.1280	0.000	1	109.8374	0.147	7	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.0880	0.167	2	109.0880	0.028	2	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	109.0432	0.342	6	109.0432	0.117	6	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.7255	0.172	4	109.7255	0.029	4	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.6530	0.164	4	107.6530	0.027	4	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|S<2>,2|C<3>}	108.5610	0.000	1	108.5610	0.000	1	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	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[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[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>}	107.3550	0.000	1	107.8740	0.228	3	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	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[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[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>}	108.1335	0.230	2	107.8740	0.228	3	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	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[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[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>}	107.7080	0.000	1	107.7080	0.000	1	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	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[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[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>}	108.3560	0.000	1	108.3560	0.000	1	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.7310	0.000	1	108.7310	0.000	1	108.9315	0.939	152	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(N){1|H<1>,1|O<1>,2|C<3>}	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<2>,1|O<1>,2|C<3>}	108.1568	0.257	4	108.1568	0.066	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	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[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[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>}	108.7500	0.318	2	108.7500	0.101	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.3662	0.427	4	108.0773	0.089	20	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.0050	0.221	16	108.0773	0.089	20	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	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[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[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>}	107.8967	0.665	11	107.8967	0.442	11	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	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[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[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>}	108.3137	0.194	4	108.3165	0.044	10	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	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[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[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>}	108.5470	0.074	2	108.3165	0.044	10	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	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[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[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>}	108.2040	0.197	4	108.3165	0.044	10	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O)	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[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[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>}	108.7025	0.185	2	108.7025	0.034	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	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[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[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>}	107.4880	0.263	2	107.4880	0.069	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	107.0180	0.000	1	107.0180	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.9070	0.000	1	108.9070	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	107.8825	0.550	4	107.9173	0.264	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	107.9870	0.634	2	107.9173	0.264	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	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[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[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>}	108.6204	0.853	8	108.6204	0.728	8	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	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[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[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>}	108.6135	0.346	4	108.6135	0.120	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.6585	0.310	4	107.6585	0.096	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	107.6975	0.483	2	107.7687	0.159	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	107.8400	0.472	2	107.7687	0.159	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	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[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[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>}	108.1230	0.031	2	108.1230	0.001	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	108.7393	0.178	3	108.2238	0.346	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	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[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[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>}	107.7083	0.192	3	108.2238	0.346	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	107.1070	0.000	1	107.1070	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.9770	0.000	1	107.9770	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	107.0310	0.000	1	107.0310	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	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[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[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>}	107.3540	0.427	2	107.3540	0.182	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	107.7490	0.000	1	108.1067	0.078	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	108.3290	0.000	1	108.1067	0.078	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	108.1405	0.264	4	108.1067	0.078	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	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[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[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>}	108.2910	0.750	2	108.2910	0.562	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|Cl<1>,1|O<1>,2|C<3>}	107.8785	0.491	2	107.8785	0.242	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|Cl<1>,1|O<1>,2|C<3>}	108.6670	0.249	4	108.6670	0.062	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]Cl)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	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[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[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>}	108.4298	0.286	21	108.4298	0.082	21	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(O){1|F<1>,1|N<2>,2|C<3>}	106.8500	0.000	1	106.8500	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	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[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[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>}	108.2610	0.233	2	108.2610	0.054	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|F<1>,1|O<1>,2|C<3>}	108.0060	0.436	2	108.0060	0.190	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Sn)(O){1|F<1>,1|O<1>,2|C<3>}	107.1000	0.236	4	107.1000	0.056	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]F)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	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[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[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>}	108.4145	0.217	4	108.4145	0.047	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	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[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[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>}	108.8570	0.000	1	108.8570	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,3|C<3>}	108.4290	0.332	14	108.4290	0.110	14	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[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>}	107.7610	0.000	1	107.7610	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	108.1113	0.566	3	108.2762	0.175	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	109.0690	0.000	1	108.2762	0.175	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	108.2651	0.387	27	108.2762	0.175	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,3|C<3>}	109.3605	0.227	2	109.3605	0.052	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	108.8043	0.588	6	108.8043	0.346	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O){1|H<1>,5|C<3>}	109.2243	0.186	7	109.2243	0.034	7	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	108.7806	0.307	5	108.8838	0.139	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	109.4000	0.000	1	108.8838	0.139	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(O){1|H<1>,1|N<2>,2|C<3>}	106.5690	0.000	1	106.5690	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<1>,2|C<3>}	107.7300	0.000	1	107.7300	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|N<2>,2|C<3>}	107.4690	0.000	1	107.4690	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(O){1|H<1>,1|N<2>,2|C<3>}	107.0407	0.565	6	107.0407	0.319	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	109.4405	0.428	2	109.4405	0.183	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.7285	0.759	2	107.7285	0.576	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4303	0.250	4	108.4043	0.069	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3525	0.387	2	108.4043	0.069	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.1839	0.693	10	108.1839	0.480	10	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3115	0.341	4	108.3615	0.128	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2861	0.294	15	108.3615	0.128	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3327	0.411	6	108.3615	0.128	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	109.0080	0.000	1	108.3615	0.128	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.8980	0.000	1	108.3615	0.128	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.6917	0.296	4	108.3615	0.128	31	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.9553	0.333	3	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.9190	0.000	1	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.7657	0.398	7	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.2210	0.441	2	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.9398	0.402	5	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.2730	0.000	1	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.0400	1.307	3	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.6670	0.000	1	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.2693	0.356	7	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.2562	0.354	5	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.1888	0.427	602	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.1900	0.498	2	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.0422	0.433	14	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	107.9955	1.389	2	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.9615	0.040	2	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.1880	0.000	1	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.1211	0.521	14	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.0505	0.045	2	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.7230	0.000	1	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	109.2310	0.000	1	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.4374	0.361	32	108.1907	0.190	708	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4300	0.000	1	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.1052	0.229	5	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.0350	0.047	2	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.7280	0.000	1	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4944	0.171	5	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3875	0.056	2	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.8312	0.354	8	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2327	0.527	30	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3086	0.399	10	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2150	0.374	24	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4125	0.430	4	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.1550	0.398	4	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.7687	1.561	4	108.3123	0.270	100	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(O){1|H<1>,1|O<1>,2|C<3>}	106.9285	0.145	2	106.9285	0.021	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	107.8727	0.724	4	107.8134	0.165	17	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	108.1155	0.176	2	107.8134	0.165	17	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	107.9180	0.151	2	107.8134	0.165	17	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	107.6966	0.290	9	107.8134	0.165	17	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	108.8260	0.000	1	108.6837	0.163	81	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	108.6518	0.465	40	108.6837	0.163	81	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	108.6520	0.000	1	108.6837	0.163	81	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	108.7135	0.345	39	108.6837	0.163	81	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4584	0.280	8	108.4584	0.078	8	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.5765	0.145	2	108.9062	0.203	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	109.2360	0.390	2	108.9062	0.203	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	108.9073	0.499	48	108.8703	0.281	50	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	107.9835	0.685	2	108.8703	0.281	50	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(O){1|H<1>,1|O<1>,2|C<3>}	109.1260	0.191	4	109.1260	0.036	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<1>,2|C<3>}	107.0279	0.215	14	106.9294	0.242	18	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<2>,2|C<3>}	107.0150	0.259	2	106.9294	0.242	18	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(O){1|H<1>,1|O<1>,2|C<3>}	106.1545	1.449	2	106.9294	0.242	18	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pt)(O){1|H<1>,1|O<1>,2|C<3>}	107.4460	0.843	2	107.4460	0.710	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	108.9180	1.057	49	108.9405	1.090	51	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	109.4930	0.491	2	108.9405	1.090	51	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.7929	0.186	8	108.7753	0.033	9	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.6350	0.000	1	108.7753	0.033	9	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.1895	0.354	4	108.1895	0.125	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.8663	0.371	3	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4880	0.000	1	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.6930	0.000	1	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.5830	0.337	4	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2510	0.000	1	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4791	0.363	10	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2622	0.722	4	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.1860	0.017	2	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2802	0.257	4	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.5883	0.482	3	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.6920	0.000	1	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4060	0.000	1	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4360	0.000	1	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2160	0.370	4	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3655	0.342	2	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.7998	0.611	4	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.5738	0.166	4	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.6902	0.345	5	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4644	0.376	103	108.4770	0.145	158	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	109.0205	0.032	2	109.0205	0.001	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.9880	0.144	4	108.9880	0.021	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	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[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[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>}	108.7400	0.000	1	108.7400	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	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[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[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>}	109.3600	0.000	1	109.3600	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.0202	0.421	6	108.0202	0.177	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	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[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[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>}	107.8462	0.195	4	107.8462	0.038	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	107.6890	0.000	1	107.6890	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	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[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[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>}	108.5932	0.792	4	108.5932	0.627	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O)	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[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[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>}	109.6140	0.256	2	109.6140	0.066	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O)	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[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[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>}	108.7770	0.000	1	108.7770	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	108.1080	0.000	1	108.1080	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	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[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[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>}	107.1100	0.000	1	107.1100	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.5520	0.000	1	108.5520	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	107.9710	0.345	6	107.9710	0.119	6	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.8252	0.124	4	108.8252	0.015	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	107.7350	0.000	1	107.7350	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.0750	0.797	4	108.0750	0.636	4	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	106.0900	0.245	2	106.0900	0.060	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.1100	0.000	1	107.1100	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,3|C<3>}	107.9240	0.000	1	107.9240	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.8330	0.000	1	108.8330	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]O)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	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[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[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>}	107.9435	1.133	2	107.9435	1.285	2	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	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[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[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>}	108.8950	0.000	1	108.8950	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	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[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[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>}	108.7610	0.000	1	108.7610	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|N<3>}	107.0600	0.000	1	107.0600	0.000	1	108.2998	0.337	1538	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P)	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[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[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(H){1|H<1>,1|P<4>,2|C<3>}	113.7410	0.000	1	113.7410	0.000	1	113.7410	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O)	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[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[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>}	114.2105	0.313	2	114.2105	0.098	2	114.2105	0.098	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2975	0.207	2	108.2080	0.089	8	108.2080	0.089	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2615	0.223	2	108.2080	0.089	8	108.2080	0.089	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.1365	0.404	4	108.2080	0.089	8	108.2080	0.089	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){2|C<3>,2|H<1>}	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,3|C<3>}	106.1070	0.000	1	106.1070	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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]Br)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Br<1>,1|H<1>,2|C<3>}	107.2270	0.000	1	107.2270	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]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]Cl)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	106.8730	0.000	1	106.8730	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	106.7400	0.000	1	106.5950	0.042	2	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	106.4500	0.000	1	106.5950	0.042	2	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	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>}	107.1785	0.525	2	107.0567	0.183	3	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	106.8130	0.000	1	107.0567	0.183	3	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.1380	0.000	1	107.1380	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.2375	0.332	2	107.1153	0.148	6	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.0542	0.442	4	107.1153	0.148	6	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	105.9235	1.285	2	106.0893	0.908	3	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.4210	0.000	1	106.0893	0.908	3	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.1780	0.198	7	106.1780	0.039	7	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.8735	0.395	2	108.4511	0.457	9	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.6090	0.000	1	108.4511	0.457	9	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.8983	0.549	3	108.4511	0.457	9	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.0025	0.040	2	108.4511	0.457	9	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.0040	0.000	1	108.4511	0.457	9	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.6910	0.000	1	107.6910	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	107.8390	0.430	4	107.8390	0.185	4	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	106.7590	0.000	1	106.7590	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	107.0725	0.401	11	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	107.1706	0.569	7	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.8683	0.396	3	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.8830	0.423	3	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.9940	0.607	2	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	107.3470	0.290	38	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	105.8355	0.388	2	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	107.1774	0.350	10	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	107.0237	0.387	7	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	108.3180	0.000	1	107.1827	0.202	84	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.3390	0.000	1	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.3620	0.000	1	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[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>}	107.3500	0.000	1	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.1900	0.000	1	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.6010	0.000	1	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[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>}	107.2615	0.411	2	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[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>}	107.0080	0.000	1	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.5070	0.253	2	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.4670	0.000	1	107.3504	0.052	11	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.5020	0.212	3	107.5020	0.045	3	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	107.6730	0.000	1	107.5218	0.093	6	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	107.9800	0.000	1	107.5218	0.093	6	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	107.3695	0.214	4	107.5218	0.093	6	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.0820	0.239	2	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.7080	0.000	1	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.1366	0.230	5	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.6910	0.000	1	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.9465	0.040	2	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.5870	0.000	1	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|F<1>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.5440	0.000	1	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.4040	0.000	1	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.1770	0.000	1	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.7490	0.000	1	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.4845	0.074	2	107.0872	0.096	18	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.2625	0.383	2	107.2625	0.146	2	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|S<4>,2|C<3>}	108.7810	0.000	1	108.7810	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	107.9950	0.000	1	107.9950	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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]I)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	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>}	106.7130	0.000	1	106.7130	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(N[5]C[5]Ni)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(N[5]C[5]Ni){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|Ni<4>,1|N<2>,2|C<3>}	105.3660	0.000	1	105.3660	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]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]N[6a])(C[5]C[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|N<2>,4|C<3>}	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>}	105.8230	0.000	1	105.8230	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|O<2>,2|C<3>}	108.1020	0.000	1	108.1020	0.000	1	107.2029	0.397	170	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H){1|B<4>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(H){2|C<3>,2|H<1>}	105.3760	0.000	1	105.3760	0.000	1	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Al)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Al){1|Al<4>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Al)(H){1|Al<4>,1|H<1>,2|C<3>}	104.6120	0.000	1	104.6120	0.000	1	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Fe<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){1|B<4>,1|H<1>,2|C<3>}	105.1113	0.568	3	105.1113	0.322	3	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Rh<9>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Rh)(H){1|B<4>,1|H<1>,2|C<3>}	104.9620	2.003	3	104.9620	4.014	3	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H){1|C<4>,1|H<1>,2|C<3>}	105.1510	0.453	3	105.1510	0.205	3	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<5>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H){1|C<4>,1|H<1>,2|C<3>}	105.3715	0.127	2	105.3715	0.016	2	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(H){1|C<4>,1|H<1>,2|C<3>}	104.3825	0.343	2	104.3825	0.118	2	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(H){1|C<4>,1|H<1>,2|C<3>}	105.2866	0.370	5	105.2866	0.137	5	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|C<4>,1|H<1>,2|C<3>}	102.3680	0.000	1	105.1440	5.780	3	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|H<1>,3|C<3>}	106.5320	0.001	2	105.1440	5.780	3	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ru<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H){1|H<1>,3|C<3>}	105.8450	0.000	1	105.8450	0.000	1	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Fe)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Fe){2|C<3>,3|H<1>}	C[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>}	105.8685	0.065	4	105.8685	0.004	4	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H){2|C<3>,2|H<1>}	106.0078	0.422	4	106.0078	0.178	4	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){2|C<3>,2|H<1>}	106.4470	0.000	1	106.4470	0.000	1	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	106.1857	1.042	4	106.1857	1.086	4	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(H){2|C<3>,2|H<1>}	105.3333	0.573	6	105.3333	0.328	6	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){2|C<3>,2|H<1>}	104.9540	0.687	4	104.9540	0.473	4	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Br<1>,1|Ru<6>,1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H){2|C<3>,2|H<1>}	104.9640	0.000	1	105.1613	0.093	27	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H){2|C<3>,2|H<1>}	105.1689	0.309	26	105.1613	0.093	27	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[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>}	106.4700	3.022	2	106.5390	1.867	6	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	C[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>}	106.5735	0.248	4	106.5390	1.867	6	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	106.5140	0.000	1	106.5140	0.000	1	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Os)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Os){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|Os<6>,1|H<1>,2|C<3>}	105.5300	0.201	3	105.5300	0.040	3	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Pd)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Pd){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|Pd<4>,1|H<1>,2|C<3>}	105.7195	0.306	4	105.7195	0.094	4	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Re)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Re){1|Re<6>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|Re<6>,1|H<1>,2|C<3>}	104.9177	0.982	4	104.9177	0.965	4	105.4090	0.726	92	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Cu)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Cu){2|C<3>,3|H<1>}	C[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>}	112.6050	0.000	1	112.6050	0.000	1	112.3590	0.121	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Rh)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Rh){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H){1|Rh<4>,1|H<1>,2|C<3>}	112.1130	0.000	1	112.1130	0.000	1	112.3590	0.121	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){2|Cl<1>,1|O<1>,2|C<3>}	C[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>}	112.4977	0.432	3	112.4977	0.187	3	113.3891	0.520	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	113.8348	0.203	6	113.8348	0.041	6	113.3891	0.520	9	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(S[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(S[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	112.7420	0.178	3	112.7420	0.032	3	112.7420	0.032	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	108.1405	0.179	2	108.1405	0.032	2	108.0056	0.036	5	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	107.7990	0.000	1	107.9157	0.026	3	108.0056	0.036	5	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	108.0980	0.000	1	107.9157	0.026	3	108.0056	0.036	5	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	107.8500	0.000	1	107.9157	0.026	3	108.0056	0.036	5	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){1|H<1>,3|C<3>}	106.0523	0.238	4	106.0523	0.057	4	105.8802	0.117	6	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Os<10>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(H){1|C<5>,1|H<1>,2|C<3>}	105.7050	0.000	1	105.7050	0.000	1	105.8802	0.117	6	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]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]N)(C[5]N[5]H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|N<3>,3|C<3>}	105.3670	0.000	1	105.3670	0.000	1	105.8802	0.117	6	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br){1|H<1>,5|C<3>}	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,5|C<3>}	116.2610	0.000	1	116.2610	0.000	1	116.2095	0.005	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Se[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,5|C<3>}	116.1580	0.000	1	116.1580	0.000	1	116.2095	0.005	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	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>}	108.0320	0.000	1	108.0320	0.000	1	108.4665	0.378	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	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>}	108.9010	0.000	1	108.9010	0.000	1	108.4665	0.378	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	109.2337	0.050	3	109.2337	0.003	3	109.2337	0.003	3	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S)	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[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[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>}	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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,6a]H)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.8440	0.618	2	107.8440	0.382	2	108.2240	0.202	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	108.7990	0.000	1	108.7990	0.000	1	108.2240	0.202	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[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>}	108.0610	0.232	3	108.0610	0.054	3	108.2240	0.202	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[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>}	108.5440	0.000	1	108.5440	0.000	1	108.2240	0.202	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[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>}	108.5780	0.000	1	108.5780	0.000	1	108.2240	0.202	8	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[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>}	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H){1|Zn<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(H){2|C<3>,2|H<1>}	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	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[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	108.3230	0.000	1	108.3230	0.000	1	108.1940	0.033	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	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[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	108.0650	0.000	1	108.0650	0.000	1	108.1940	0.033	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|O<1>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	107.7495	0.465	2	107.7495	0.216	2	107.7495	0.216	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|H<1>,6|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){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	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[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[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>}	108.3140	0.000	1	108.3140	0.000	1	108.3130	0.092	7	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[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>}	108.4300	0.000	1	108.3337	0.199	3	108.3130	0.092	7	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	108.2855	0.620	2	108.3337	0.199	3	108.3130	0.092	7	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])2(O){6|C<3>}	108.0150	0.000	1	108.0150	0.000	1	108.3130	0.092	7	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[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>}	108.2950	0.000	1	108.2950	0.000	1	108.3130	0.092	7	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.5660	0.000	1	108.5660	0.000	1	108.3130	0.092	7	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	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>}	108.3268	0.641	4	108.1630	0.442	5	108.1630	0.442	5	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:N[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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){2|O<1>,5|C<3>}	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>}	107.5080	0.000	1	108.1630	0.442	5	108.1630	0.442	5	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5a,6a]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	107.3730	0.253	2	107.3730	0.064	2	107.3730	0.064	2	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	108.1260	0.380	2	108.1260	0.145	2	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){6|C<3>}	108.9447	0.375	3	108.9447	0.141	3	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	107.2440	0.000	1	107.2440	0.000	1	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|N<2>,5|C<3>}	109.5950	0.000	1	109.5950	0.000	1	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	108.9417	0.128	3	108.9417	0.017	3	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|S<1>,5|C<3>}	108.8940	0.000	1	108.8940	0.000	1	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){6|C<3>}	109.2800	0.000	1	109.2800	0.000	1	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	108.9230	0.000	1	108.9230	0.000	1	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	108.0510	0.000	1	108.0510	0.000	1	108.7070	0.403	14	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-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[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5](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[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	106.7370	0.000	1	106.7370	0.000	1	106.7370	0.000	1	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.9890	0.436	2	107.9890	0.190	2	107.3818	0.264	6	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5](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[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[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.0782	0.086	4	107.0782	0.007	4	107.3818	0.264	6	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-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[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.9734	0.319	5	107.9734	0.102	5	107.6666	0.135	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-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[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.3920	0.271	4	107.3920	0.073	4	107.6666	0.135	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-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[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.5213	0.106	3	107.5213	0.011	3	107.6666	0.135	12	108.2814	2.088	2561	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]N)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]N){2|N<2>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5]){2|N<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a]){1|N<2>,4|C<3>}	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[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>}	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	109.2510	0.000	1	109.2510	0.000	1	109.1170	0.013	3	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,4|C<3>}	109.0500	0.000	2	109.0500	0.000	2	109.1170	0.013	3	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	C[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>}	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	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>}	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|As<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(AsC[6a]){2|H<1>,4|C<3>}	108.8455	0.414	2	108.8455	0.171	2	108.8455	0.171	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-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[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[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>}	108.9970	0.000	1	108.9970	0.000	1	108.4512	0.142	31	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-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[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CN){2|H<1>,4|C<3>}	109.1900	0.154	2	109.1900	0.024	2	108.4512	0.142	31	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-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[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	108.3631	0.321	24	108.3631	0.103	24	108.4512	0.142	31	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-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[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[4]){2|H<1>,4|C<3>}	108.4540	0.321	2	108.4540	0.103	2	108.4512	0.142	31	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-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[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CN){2|H<1>,4|C<3>}	108.4935	0.426	2	108.4935	0.182	2	108.4512	0.142	31	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC){2|H<1>,4|C<3>}	108.5430	1.375	2	108.5430	1.890	2	108.0052	0.891	63	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	108.4964	0.713	16	108.4964	0.508	16	108.0052	0.891	63	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	107.7665	0.914	30	107.7665	0.835	30	108.0052	0.891	63	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NO){2|H<1>,4|C<3>}	107.1385	1.149	6	107.1385	1.320	6	108.0052	0.891	63	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NS){2|H<1>,4|C<3>}	108.2759	0.548	8	108.2759	0.300	8	108.0052	0.891	63	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[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>}	109.2670	0.000	1	109.2670	0.000	1	108.0052	0.891	63	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	108.4965	0.274	2	108.9712	0.435	4	108.9712	0.435	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	109.4460	0.574	2	108.9712	0.435	4	108.9712	0.435	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	105.8480	0.000	1	105.5890	0.134	2	105.8653	0.149	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	105.3300	0.000	1	105.5890	0.134	2	105.8653	0.149	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	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[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[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>}	106.1415	0.086	2	106.1415	0.007	2	105.8653	0.149	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[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>}	107.5970	0.000	1	107.1910	0.330	2	107.1910	0.330	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	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[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[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>}	106.7850	0.000	1	107.1910	0.330	2	107.1910	0.330	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[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>}	104.1510	0.000	1	104.1510	0.000	1	104.1510	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:I[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O){1|C<3>,1|N<3>,2|H<1>}	C[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>}	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O){2|C<3>,2|H<1>}	C[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>}	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|C<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-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[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	C[5](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[5,6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[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>}	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5](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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[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>}	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	108.0035	0.125	2	108.0035	0.016	2	108.4840	0.508	5	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	108.4555	0.719	2	108.4555	0.517	2	108.4840	0.508	5	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	109.5020	0.000	1	109.5020	0.000	1	108.4840	0.508	5	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|P<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	109.4185	0.754	2	109.4185	0.569	2	109.4185	0.569	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|H<1>,3|C<3>}	106.8260	0.000	1	106.8260	0.000	1	106.6997	0.019	3	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS){1|H<1>,3|C<3>}	106.7180	0.000	1	106.7180	0.000	1	106.6997	0.019	3	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]){1|H<1>,5|C<3>}	106.5550	0.000	1	106.5550	0.000	1	106.6997	0.019	3	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,3|C<3>}	105.9010	0.000	1	105.9010	0.000	1	106.0265	0.032	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	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[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[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>}	106.1520	0.000	1	106.1520	0.000	1	106.0265	0.032	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CN){1|C<4>,1|H<1>,2|C<3>}	106.4430	0.281	2	106.4430	0.079	2	107.7005	2.955	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CN){1|H<1>,1|N<2>,2|C<3>}	110.0670	0.000	1	110.0670	0.000	1	107.7005	2.955	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.8490	0.000	1	107.8490	0.000	1	107.7005	2.955	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	106.4890	0.000	1	106.4890	0.000	1	107.5020	2.253	6	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN){1|H<1>,1|N<2>,2|C<3>}	109.0155	0.098	2	109.0155	0.010	2	107.5020	2.253	6	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.0940	0.000	1	107.0940	0.000	1	107.5020	2.253	6	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	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[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[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>}	106.6990	2.048	2	106.6990	4.193	2	107.5020	2.253	6	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	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[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[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>}	104.9730	0.311	2	104.9730	0.097	2	104.9730	0.097	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[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>}	106.9250	0.000	1	106.9250	0.000	1	107.5106	0.432	14	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.6210	0.000	1	107.6210	0.000	1	107.5106	0.432	14	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	107.8745	0.052	2	107.4940	0.436	3	107.5106	0.432	14	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	106.7330	0.000	1	107.4940	0.436	3	107.5106	0.432	14	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	107.3405	0.177	2	107.3405	0.032	2	107.5106	0.432	14	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu){1|H<1>,1|O<1>,2|C<3>}	107.8034	0.954	5	107.8034	0.910	5	107.5106	0.432	14	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.0490	0.000	1	107.0490	0.000	1	107.5106	0.432	14	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(ONi){1|H<1>,1|O<1>,2|C<3>}	107.3730	0.000	1	107.3730	0.000	1	107.5106	0.432	14	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.0020	0.000	1	107.0020	0.000	1	107.6260	0.779	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.2500	0.000	1	108.2500	0.000	1	107.6260	0.779	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC){1|F<1>,1|O<1>,2|C<3>}	107.4230	0.000	1	107.4230	0.000	1	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	107.6507	0.586	3	107.6507	0.343	3	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.3150	0.000	1	107.3150	0.000	1	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH){1|H<1>,1|O<1>,2|C<3>}	107.9020	0.000	1	107.9020	0.000	1	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(NC){1|H<1>,1|O<1>,2|C<3>}	107.2180	0.000	1	107.2180	0.000	1	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC){1|H<1>,1|O<1>,2|C<3>}	106.5430	0.000	1	106.5430	0.000	1	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	106.8820	0.446	4	106.8820	0.199	4	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	106.8930	0.569	2	106.8930	0.323	2	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.4630	0.000	1	107.4630	0.000	1	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.1840	0.000	1	107.1840	0.000	1	107.2071	0.258	16	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	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[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[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>}	104.8630	0.491	2	104.8630	0.241	2	104.8630	0.241	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	107.8425	0.258	2	107.8425	0.067	2	107.1608	0.642	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(OPd){1|H<1>,1|O<1>,2|C<3>}	106.4790	0.011	2	106.4790	0.000	2	107.1608	0.642	4	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|C<4>}	107.7100	0.208	2	107.7100	0.043	2	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|Cl<1>,1|C<4>,2|C<3>}	107.6825	0.264	2	107.6825	0.070	2	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	106.9050	0.472	2	107.0858	0.119	4	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	107.2665	0.053	2	107.0858	0.119	4	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[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>}	106.2670	0.000	1	106.4290	0.051	11	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[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>}	106.4806	0.216	9	106.4290	0.051	11	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[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>}	106.1270	0.000	1	106.4290	0.051	11	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	106.6770	0.000	1	106.8474	0.323	15	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	106.7810	0.000	1	106.8474	0.323	15	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	106.7207	0.333	12	106.8474	0.323	15	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	108.6040	0.000	1	106.8474	0.323	15	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){1|C<4>,1|H<1>,2|C<3>}	106.1363	0.267	3	106.1363	0.071	3	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP){1|C<4>,1|H<1>,2|C<3>}	107.1520	0.000	1	107.1520	0.000	1	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS){1|C<4>,1|H<1>,2|C<3>}	106.4350	0.000	1	106.4350	0.000	1	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a]){2|C<3>,2|H<1>}	106.5450	0.000	1	106.5450	0.000	1	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6]){2|C<3>,2|H<1>}	106.6650	1.416	2	106.6650	2.004	2	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|H<1>}	106.4000	0.274	6	106.4000	0.075	6	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	106.7033	0.184	3	106.6528	0.137	51	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	106.5635	0.264	2	106.6528	0.137	51	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	106.7616	0.225	8	106.6528	0.137	51	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	106.6368	0.325	5	106.6528	0.137	51	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	106.7040	0.205	2	106.6528	0.137	51	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	106.6364	0.471	26	106.6528	0.137	51	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	106.5644	0.212	5	106.6528	0.137	51	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	105.8770	0.000	1	105.9125	0.014	4	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	106.0710	0.000	1	105.9125	0.014	4	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	105.8510	0.093	2	105.9125	0.014	4	106.6580	0.244	103	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	111.0010	0.000	1	111.1440	0.041	2	111.1440	0.041	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	111.2870	0.000	1	111.1440	0.041	2	111.1440	0.041	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|H<1>,3|C<3>}	106.2180	0.014	2	106.2180	0.000	2	106.3423	0.046	3	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	106.5910	0.000	1	106.5910	0.000	1	106.3423	0.046	3	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[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>}	106.6240	0.000	1	106.6240	0.000	1	106.6240	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[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>}	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a]){4|C<3>}	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC){1|O<1>,5|C<3>}	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C)	C[5](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[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[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	105.9235	0.326	2	105.9235	0.106	2	105.9235	0.106	2	107.4740	1.735	295	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC){1|H<1>,5|C<3>}	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5](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[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[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>}	109.7100	0.000	2	109.7100	0.000	2	109.6831	0.163	8	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5](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[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[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>}	109.5630	0.000	1	109.5630	0.000	1	109.6831	0.163	8	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5](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[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[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>}	109.0820	0.000	1	109.0820	0.000	1	109.6831	0.163	8	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[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[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>}	109.3310	0.000	1	109.3310	0.000	1	109.6831	0.163	8	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	109.5860	0.000	1	110.0230	0.148	3	109.6831	0.163	8	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	110.1710	0.000	1	110.0230	0.148	3	109.6831	0.163	8	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	110.3120	0.000	1	110.0230	0.148	3	109.6831	0.163	8	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,4|C<3>}	108.1740	0.000	1	108.1740	0.000	1	109.0913	0.636	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS){1|H<1>,4|C<3>}	109.4790	0.000	1	109.4790	0.000	1	109.0913	0.636	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.6210	0.000	1	109.6210	0.000	1	109.0913	0.636	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[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>}	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[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>}	109.3080	0.092	2	109.3080	0.008	2	109.2298	0.028	5	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	108.9850	0.000	1	108.9850	0.000	1	109.2298	0.028	5	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[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>}	109.2740	0.170	2	109.2740	0.029	2	109.2298	0.028	5	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[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>}	109.0200	0.000	1	109.0200	0.000	1	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	C[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>}	109.3670	0.000	1	109.3670	0.000	1	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	C[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>}	109.3040	0.000	1	109.3040	0.000	1	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](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[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[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>}	109.6550	0.000	2	109.6550	0.000	2	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5](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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	C[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>}	109.4860	0.000	1	109.4860	0.000	1	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5](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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	C[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>}	109.6480	0.000	2	109.6480	0.000	2	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5](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[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	C[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>}	109.2320	0.000	2	109.2320	0.000	2	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5](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[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[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>}	108.6720	0.000	1	108.6720	0.000	1	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.7825	0.842	2	109.5170	0.243	7	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.3220	0.000	1	109.5170	0.243	7	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.4090	0.000	1	109.5170	0.243	7	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	C[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>}	110.0160	0.000	1	109.5170	0.243	7	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.1535	0.213	2	109.5170	0.243	7	109.4188	0.150	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	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[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[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>}	107.1150	0.000	1	107.1150	0.000	1	108.0720	1.832	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[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>}	109.0290	0.000	1	109.0290	0.000	1	108.0720	1.832	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.2210	0.000	1	108.2210	0.000	1	108.2210	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[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>}	110.1765	0.402	2	110.1765	0.162	2	110.1765	0.162	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[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>}	108.9345	0.120	2	108.9345	0.014	2	108.9345	0.014	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	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[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[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>}	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	107.2140	0.000	1	107.3753	0.086	6	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	106.8740	0.000	1	107.3753	0.086	6	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	107.4740	0.091	2	107.3753	0.086	6	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	107.6080	0.124	2	107.3753	0.086	6	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[3]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	108.8430	0.000	1	108.8430	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|C<4>,1|H<1>,4|C<3>}	106.4130	0.000	1	108.4415	0.280	38	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	108.8913	0.668	6	108.4415	0.280	38	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	108.4275	0.022	2	108.4415	0.280	38	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	108.3130	0.308	7	108.4415	0.280	38	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	108.4531	0.317	22	108.4415	0.280	38	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	108.5230	0.000	1	109.0413	0.603	6	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	110.1460	0.000	1	109.0413	0.603	6	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	108.8948	0.693	4	109.0413	0.603	6	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	108.2345	0.190	4	108.2345	0.036	4	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCS){2|H<1>,4|C<3>}	108.6620	0.065	2	108.6620	0.004	2	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]2){2|H<1>,4|C<3>}	108.7285	0.038	4	108.7285	0.001	4	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C){2|H<1>,4|C<3>}	108.8665	0.237	2	108.8758	0.066	4	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C){2|H<1>,4|C<3>}	108.8850	0.375	2	108.8758	0.066	4	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]H){2|H<1>,4|C<3>}	108.8090	0.537	2	108.8090	0.289	2	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	110.5998	2.705	4	110.5998	7.318	4	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	108.6410	0.000	1	108.5948	0.080	27	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	108.4895	0.244	2	108.5948	0.080	27	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	108.7815	0.206	2	108.5948	0.080	27	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	108.5853	0.298	22	108.5948	0.080	27	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	108.5743	0.341	8	108.5743	0.116	8	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6]){2|H<1>,4|C<3>}	108.8970	0.021	2	108.8970	0.000	2	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	108.4735	0.496	2	108.7263	0.297	28	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	109.6310	0.000	1	108.7263	0.297	28	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	109.1705	0.046	2	108.7263	0.297	28	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	108.6703	0.538	23	108.7263	0.297	28	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]N){2|H<1>,4|C<3>}	108.8190	0.322	2	108.8190	0.104	2	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CHN){2|H<1>,4|C<3>}	108.5635	0.162	2	108.5635	0.026	2	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	108.5623	0.182	3	108.5888	0.220	13	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	108.8083	0.631	4	108.5888	0.220	13	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	108.4220	0.243	2	108.5888	0.220	13	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	108.4725	0.582	4	108.5888	0.220	13	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CPP){2|H<1>,4|C<3>}	108.6615	0.740	2	108.6615	0.548	2	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CSS){2|H<1>,4|C<3>}	108.7220	0.024	2	108.7220	0.001	2	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.0100	0.000	1	109.0100	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	108.1745	0.192	2	108.8286	0.491	12	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	107.9705	0.052	2	108.8286	0.491	12	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	108.7100	0.185	2	108.8286	0.491	12	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	109.3722	0.490	6	108.8286	0.491	12	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	108.1130	0.000	1	108.1130	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,1|N<2>,4|C<3>}	108.6790	0.000	1	108.6790	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CHH){1|H<1>,1|O<2>,4|C<3>}	108.9820	0.000	1	108.9820	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[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>}	109.3970	0.000	1	109.3970	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC){1|H<1>,5|C<3>}	108.8040	0.000	1	108.8040	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	108.2790	0.000	1	108.2790	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.2000	0.000	1	109.2000	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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]Ir){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,2|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>}	106.6610	0.000	1	106.6610	0.000	1	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	109.2400	0.352	6	109.2400	0.124	6	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	108.1815	0.204	2	108.1815	0.042	2	108.6433	0.509	186	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){2|H<1>,7|C<3>}	108.5925	0.087	2	108.5925	0.008	2	108.6461	0.028	14	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	108.5520	0.192	4	108.5520	0.037	4	108.6461	0.028	14	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){1|C<4>,3|H<1>,6|C<3>}	108.7057	0.186	4	108.7066	0.025	8	108.6461	0.028	14	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){2|H<1>,7|C<3>}	108.7075	0.151	4	108.7066	0.025	8	108.6461	0.028	14	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	108.6255	0.129	2	108.6255	0.017	2	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	108.7720	0.000	1	108.7720	0.000	1	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){2|C<4>,8|C<3>}	107.7620	0.126	4	107.7576	0.011	8	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){10|C<3>}	107.7532	0.099	4	107.7576	0.011	8	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	108.9480	0.107	2	109.0380	0.163	20	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	109.0823	0.452	12	109.0380	0.163	20	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	108.7477	0.193	4	109.0380	0.163	20	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	109.4435	0.148	2	109.0380	0.163	20	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	108.9690	0.000	1	107.4080	8.769	4	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	106.0315	4.320	2	107.4080	8.769	4	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	108.6000	0.000	1	107.4080	8.769	4	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	108.5870	0.122	2	108.5870	0.015	2	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	108.1077	0.388	4	108.1076	0.118	9	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	108.1074	0.352	5	108.1076	0.118	9	108.4482	1.040	46	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5]C[5,6a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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]Br){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Br<1>,1|H<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>}	108.6720	0.051	2	108.6720	0.003	2	108.6214	0.081	11	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,8|C<3>}	108.7550	0.282	5	108.7550	0.080	5	108.6214	0.081	11	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	108.5710	0.376	2	108.5710	0.142	2	108.6214	0.081	11	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6]){2|H<1>,7|C<3>}	108.1800	0.000	1	108.2870	0.023	2	108.6214	0.081	11	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6]){2|H<1>,7|C<3>}	108.3940	0.000	1	108.2870	0.023	2	108.6214	0.081	11	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	109.9980	0.038	2	109.9980	0.001	2	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[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>}	109.7810	0.000	1	109.7810	0.000	1	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	109.5770	0.279	2	109.5770	0.078	2	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	C[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>}	110.0310	0.000	1	110.0310	0.000	1	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	108.9922	0.217	4	108.9922	0.047	4	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	109.4485	0.298	2	109.4485	0.089	2	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	108.5056	0.153	8	108.5056	0.023	8	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.3683	0.228	3	109.0636	0.093	9	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	108.9112	0.210	6	109.0636	0.093	9	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[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>}	108.7420	0.000	1	108.7420	0.000	1	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	108.9020	0.000	1	109.1172	0.042	4	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	109.1890	0.179	3	109.1172	0.042	4	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[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>}	109.0470	0.000	1	109.0470	0.000	1	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	109.0320	0.000	1	109.0320	0.000	1	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.4980	0.000	1	109.4980	0.000	1	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	109.1200	0.000	1	109.1200	0.000	1	109.0882	0.220	38	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6]O){2|H<1>,4|C<3>}	106.7915	0.688	2	106.7915	0.473	2	107.4580	0.526	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NCuC){2|H<1>,4|C<3>}	107.9125	1.009	4	107.9125	1.019	4	107.4580	0.526	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(NNiN){2|H<1>,4|C<3>}	107.4176	0.578	12	107.4176	0.334	12	107.4580	0.526	18	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[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>}	107.1275	0.425	2	107.1275	0.181	2	107.1275	0.181	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5a,6a]-3:C[5,6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	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>}	109.5843	0.340	3	109.5843	0.116	3	109.5843	0.116	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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,6a]-3:C[5,6a]-3:	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	107.3010	0.000	1	107.3010	0.000	1	108.1900	0.834	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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,6a]-3:C[5,6a]-3:	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]Ir)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	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[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|Ir<8>,1|H<1>,7|C<3>}	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>}	109.1260	0.000	1	109.1260	0.000	1	108.1900	0.834	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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,6a]-3:C[5,6a]-3:	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]Ir)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	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]Ir){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|Ir<8>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	108.1430	0.000	1	108.1430	0.000	1	108.1900	0.834	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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,6a]-3:C[5,6a]-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[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(B[5]C[5]Br)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(B[5]C[5]Br){2|F<1>,3|C<3>}	C[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>}	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]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]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	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>}	108.3550	0.000	1	108.3550	0.000	1	108.6931	0.110	15	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	108.8260	0.000	1	108.8063	0.038	9	108.6931	0.110	15	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	108.8039	0.208	8	108.8063	0.038	9	108.6931	0.110	15	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[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>}	109.3420	0.000	1	109.3420	0.000	1	108.6931	0.110	15	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]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]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[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[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>}	108.5270	0.175	2	108.3605	0.047	4	108.6931	0.110	15	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]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]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[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[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>}	108.1940	0.020	2	108.3605	0.047	4	108.6931	0.110	15	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.8520	0.095	2	108.8520	0.009	2	108.8520	0.009	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[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>}	109.7060	0.000	1	109.7060	0.000	1	108.7210	0.758	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.2285	0.247	2	108.2285	0.061	2	108.7210	0.758	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[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>}	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[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>}	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	C[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>}	106.4630	0.000	1	106.4630	0.000	1	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	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[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[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>}	106.7660	0.000	1	106.7660	0.000	1	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	108.8730	0.000	1	108.8305	0.004	2	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	108.7880	0.000	1	108.8305	0.004	2	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	108.4370	0.000	1	108.4370	0.000	1	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[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>}	108.6385	0.271	2	108.6385	0.073	2	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[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>}	108.7370	0.000	1	108.7370	0.000	1	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.4820	0.004	2	108.4820	0.000	2	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.2850	0.264	3	108.7463	0.164	9	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.0900	0.000	1	108.7463	0.164	9	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.1230	0.000	1	108.7463	0.164	9	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.0700	0.000	1	108.7463	0.164	9	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.1580	0.000	1	108.7463	0.164	9	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.7105	0.013	2	108.7463	0.164	9	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.0609	0.282	7	108.0609	0.079	7	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.5810	0.000	1	108.5810	0.000	1	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.4100	0.000	1	108.6547	0.083	3	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.9710	0.000	1	108.6547	0.083	3	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.5830	0.000	1	108.6547	0.083	3	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	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[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[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>}	108.4380	0.279	2	108.4380	0.078	2	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,3|H<1>}	C[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>}	108.3540	0.000	1	107.7108	0.379	25	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,3|H<1>}	C[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>}	107.6840	0.614	24	107.7108	0.379	25	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.6390	0.000	1	108.6390	0.000	1	108.1083	0.480	58	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.0155	0.059	4	107.1077	0.380	6	107.1077	0.380	6	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.2920	1.338	2	107.1077	0.380	6	107.1077	0.380	6	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Mg<4>,2|C<3>,2|F<1>}	C[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>}	105.0065	0.178	8	105.0065	0.032	8	105.0065	0.032	8	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[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>}	106.1610	0.000	1	106.1610	0.000	1	106.1610	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H){2|H<1>,3|C<3>}	C[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>}	113.5090	0.000	1	113.5090	0.000	1	113.5090	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[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>}	106.3940	0.000	1	106.3940	0.000	1	106.3940	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,6|C<3>}	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>}	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	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[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	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[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]){9|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){2|H<1>,7|C<3>}	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>}	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,8|C<3>}	C[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>}	108.4270	0.000	1	108.6890	0.137	2	108.6890	0.137	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a,6a]2){1|H<1>,8|C<3>}	C[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>}	108.9510	0.000	1	108.6890	0.137	2	108.6890	0.137	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	107.7717	0.230	4	107.7717	0.053	4	107.5644	0.255	5	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|C<4>,1|H<1>,4|C<3>}	106.7350	0.000	1	106.7350	0.000	1	107.5644	0.255	5	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H)	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[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[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>}	107.1690	0.000	1	107.1690	0.000	1	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){1|H<1>,3|C<3>}	107.1250	0.000	1	107.1250	0.000	1	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H){1|H<1>,3|C<3>}	107.2930	0.000	1	107.2930	0.000	1	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C){1|H<1>,3|C<3>}	106.6250	0.000	1	106.6250	0.000	1	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC){1|H<1>,5|C<3>}	107.2140	0.000	1	107.2140	0.000	1	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	106.9885	0.395	2	106.9885	0.156	2	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,5|C<3>}	107.0190	0.000	1	107.0190	0.000	1	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	107.4135	0.356	4	107.4135	0.127	4	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S){1|H<1>,5|C<3>}	107.3380	0.000	1	107.3380	0.000	1	107.1857	0.100	13	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[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>}	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.8925	0.101	2	108.8925	0.010	2	108.9260	0.008	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5]){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.9930	0.000	1	108.9930	0.000	1	108.9260	0.008	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C){2|C<3>,2|H<1>}	107.9905	0.210	2	107.9905	0.044	2	107.9905	0.044	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[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>}	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	106.9305	0.235	2	106.9305	0.055	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN){2|C<3>,2|C<4>}	108.0880	0.217	3	108.0880	0.047	3	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N){2|C<3>,2|C<4>}	108.6880	0.112	2	108.6880	0.012	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	108.7228	0.410	4	108.7228	0.168	4	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN){1|H<1>,3|C<3>}	108.3220	0.334	2	108.3220	0.111	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H){1|H<1>,3|C<3>}	107.8650	0.434	2	107.8650	0.188	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	108.0678	0.365	4	108.0678	0.133	4	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO){1|H<1>,3|C<3>}	107.2685	0.221	2	107.2685	0.049	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H){1|H<1>,3|C<3>}	107.6160	0.307	2	107.6160	0.094	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5]H){1|H<1>,3|C<3>}	107.5840	0.000	1	107.5840	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H){1|H<1>,3|C<3>}	107.2980	0.000	1	107.2980	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CHN){1|H<1>,3|C<3>}	107.5745	0.163	2	107.5745	0.027	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H){1|H<1>,3|C<3>}	107.4970	0.359	2	107.4970	0.129	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO){2|C<3>,2|H<1>}	107.5560	0.000	1	107.5560	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	106.9920	0.000	1	106.9920	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	108.2625	0.037	2	108.0377	0.152	3	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	107.5880	0.000	1	108.0377	0.152	3	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH){2|C<3>,2|H<1>}	107.5280	0.206	2	107.5280	0.043	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){2|H<1>,4|C<3>}	107.4160	1.038	3	107.4160	1.078	3	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){2|H<1>,4|C<3>}	107.6920	0.000	1	107.6920	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	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[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[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>}	107.7250	0.000	1	107.7250	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	108.7485	0.016	2	108.8482	0.552	18	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	108.8607	0.790	16	108.8482	0.552	18	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.9690	0.000	1	107.9690	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	112.1080	0.000	1	112.1080	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.5950	0.255	2	108.5950	0.065	2	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO){1|H<1>,1|S<4>,2|C<3>}	106.5190	0.000	1	106.5190	0.000	1	108.1917	0.879	64	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[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>}	107.4660	0.000	1	107.4660	0.000	1	108.8470	1.456	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.5375	0.227	2	109.5375	0.052	2	108.8470	1.456	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|H<1>,1|N<3>,4|C<3>}	107.2560	0.000	1	107.2560	0.000	1	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.1075	0.081	2	108.1075	0.007	2	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.8330	0.000	1	107.8330	0.000	1	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	106.6520	0.000	1	106.6520	0.000	1	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	106.8440	0.303	2	106.8440	0.092	2	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){1|H<1>,1|O<1>,2|C<3>}	108.0500	0.000	1	108.0500	0.000	1	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN){1|H<1>,1|O<1>,2|C<3>}	106.8540	0.000	1	106.8540	0.000	1	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NMnO){1|H<1>,1|O<1>,2|C<3>}	108.8943	0.735	6	108.8943	0.540	6	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NNiO){1|H<1>,1|O<1>,2|C<3>}	108.5720	0.055	2	108.5720	0.003	2	108.0622	0.913	17	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3100	0.000	1	108.3100	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|H<1>,1|O<1>,2|C<3>}	107.9570	0.066	2	107.9570	0.004	2	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN){1|H<1>,1|O<1>,2|C<3>}	107.4285	0.627	2	107.4285	0.393	2	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3890	0.040	2	108.3890	0.002	2	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.3491	0.666	7	108.3491	0.443	7	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.8110	0.000	1	108.8110	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC){1|H<1>,1|O<1>,2|C<3>}	107.7650	0.000	1	107.7650	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	108.1071	0.488	9	108.1071	0.238	9	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.0335	0.018	2	107.0335	0.000	2	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.7460	0.000	1	108.7460	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	106.9117	0.408	4	106.9117	0.167	4	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.5870	0.000	1	107.5870	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.3040	0.010	2	107.3040	0.000	2	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.4368	0.077	5	108.4368	0.006	5	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.1250	0.000	1	107.1250	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	107.9440	0.437	3	107.8332	0.121	5	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	107.7320	0.000	1	107.8332	0.121	5	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	107.6020	0.000	1	107.8332	0.121	5	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH){1|H<1>,1|O<1>,2|C<3>}	108.0540	0.000	1	108.0540	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.2340	0.000	1	108.2340	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	107.4470	0.000	1	107.4470	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.9846	0.186	5	108.9846	0.035	5	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	109.3044	0.330	5	109.3044	0.109	5	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	110.0810	0.206	2	110.0810	0.043	2	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	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[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[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>}	108.7200	0.000	1	108.7200	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[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>}	108.0630	0.000	1	108.0630	0.000	1	108.2079	0.639	63	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC){1|H<1>,1|O<1>,2|C<3>}	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[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>}	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.3028	0.331	5	107.3028	0.110	5	107.2794	0.179	7	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.2210	0.792	2	107.2210	0.627	2	107.2794	0.179	7	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	106.3725	0.197	2	106.3725	0.039	2	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	106.8750	0.000	1	106.8750	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[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>}	109.1060	0.000	1	109.1060	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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]Cl)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,2|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>}	107.2910	0.000	1	107.2910	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	106.1855	0.146	2	107.3440	0.629	17	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	107.0379	0.276	9	107.3440	0.629	17	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	107.4755	0.187	2	107.3440	0.629	17	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|H<1>,3|C<3>}	108.5463	0.130	4	107.3440	0.629	17	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	106.5190	0.000	1	106.8783	0.188	16	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	106.9420	0.000	1	106.8783	0.188	16	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	106.7142	0.285	4	106.8783	0.188	16	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	106.8424	0.332	7	106.8783	0.188	16	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	106.8400	0.156	2	106.8783	0.188	16	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|H<1>,3|C<3>}	108.1580	0.000	1	106.8783	0.188	16	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	106.5665	0.293	2	106.5665	0.086	2	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.0870	0.639	2	107.0870	0.409	2	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.7025	0.021	2	106.7025	0.000	2	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.4310	0.000	2	106.4310	0.000	2	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.9410	0.000	1	106.9410	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.5960	0.000	1	107.6908	0.590	20	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.9340	0.000	1	107.6908	0.590	20	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.1490	0.539	7	107.6908	0.590	20	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	108.2900	0.000	1	107.6908	0.590	20	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	108.1952	0.552	10	107.6908	0.590	20	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.7540	0.000	1	106.7540	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.9007	0.953	3	107.9007	0.909	3	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.3600	0.000	1	106.3600	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.5070	0.000	1	106.5070	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	106.8130	0.000	1	106.8130	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]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[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	107.2140	0.000	1	106.9775	0.119	13	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]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[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	106.9100	0.000	1	106.9775	0.119	13	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]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[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	106.9621	0.369	11	106.9775	0.119	13	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	106.6230	0.000	1	106.9248	0.286	6	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	106.9852	0.574	5	106.9248	0.286	6	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){2|C<3>,2|H<1>}	106.2122	0.209	9	106.2122	0.043	9	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	106.4880	0.000	1	106.9254	0.307	15	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	107.0955	0.071	2	106.9254	0.307	15	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	106.9335	0.606	12	106.9254	0.307	15	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C){2|C<3>,2|H<1>}	107.4550	0.000	1	107.4550	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	107.7710	0.000	1	107.5418	0.273	5	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<6>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	107.8880	0.000	1	107.5418	0.273	5	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	107.3500	0.636	3	107.5418	0.273	5	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2){2|C<3>,2|H<1>}	107.1010	0.000	1	107.1010	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){2|C<3>,2|H<1>}	107.3640	0.181	2	107.3640	0.033	2	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	107.2960	0.093	2	106.9109	0.134	14	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	106.7885	0.361	10	106.9109	0.134	14	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	107.1375	0.066	2	106.9109	0.134	14	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.5970	0.000	1	108.5970	0.000	1	107.0906	0.482	141	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[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>}	107.7480	0.000	1	107.7480	0.000	1	106.9645	0.587	10	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.9690	0.298	3	107.2956	0.529	5	106.9645	0.587	10	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.0310	0.000	1	107.2956	0.529	5	106.9645	0.587	10	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C[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>}	108.5400	0.000	1	107.2956	0.529	5	106.9645	0.587	10	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.9130	0.000	1	106.9130	0.000	1	106.9645	0.587	10	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.4020	0.000	1	106.4020	0.000	1	106.9645	0.587	10	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[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>}	106.1440	0.000	1	106.1440	0.000	1	106.9645	0.587	10	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[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>}	105.9600	0.000	1	105.9600	0.000	1	106.9645	0.587	10	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[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>}	106.3460	0.000	1	106.3460	0.000	1	105.7408	0.130	6	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO){2|C<3>,2|H<1>}	105.7840	0.000	1	105.7840	0.000	1	105.7408	0.130	6	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPdN){2|C<3>,2|H<1>}	105.6630	0.294	2	105.6630	0.087	2	105.7408	0.130	6	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPtN){2|C<3>,2|H<1>}	105.4945	0.250	2	105.4945	0.062	2	105.7408	0.130	6	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	106.1730	0.000	1	106.1730	0.000	1	104.4500	0.785	9	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(CNO){1|C<4>,1|H<1>,2|C<3>}	103.9310	0.000	1	103.9310	0.000	1	104.4500	0.785	9	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(COO){2|C<3>,2|H<1>}	104.3580	0.716	6	104.3580	0.513	6	104.4500	0.785	9	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<5>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(COO){2|C<3>,2|H<1>}	103.7980	0.000	1	103.7980	0.000	1	104.4500	0.785	9	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	108.0540	0.000	1	108.0540	0.000	1	107.7617	0.066	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|H<1>,3|C<3>}	107.6610	0.000	1	107.6610	0.000	1	107.7617	0.066	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH){1|H<1>,3|C<3>}	107.5700	0.000	1	107.5700	0.000	1	107.7617	0.066	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[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>}	108.2240	0.288	2	108.2240	0.083	2	108.2240	0.083	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	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[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|H<1>,1|N<2>,2|C<3>}	107.8240	0.000	1	107.8240	0.000	1	108.7333	0.642	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	109.1880	0.211	2	109.1880	0.044	2	108.7333	0.642	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[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>}	108.6640	0.145	3	108.6640	0.021	3	108.5885	0.037	4	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	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[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[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>}	108.3620	0.000	1	108.3620	0.000	1	108.5885	0.037	4	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[5]){1|H<1>,8|C<3>}	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>}	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-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[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[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>}	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5](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[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[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>}	107.8815	0.302	2	107.8815	0.091	2	107.8815	0.091	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	C[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>}	108.7270	0.000	1	108.7270	0.000	1	108.1705	0.619	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[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>}	107.6140	0.000	1	107.6140	0.000	1	108.1705	0.619	2	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[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>}	108.2420	0.049	2	108.2420	0.002	2	108.3337	0.026	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[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>}	108.5170	0.000	1	108.5170	0.000	1	108.3337	0.026	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,4|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>}	106.9490	0.122	2	106.9490	0.015	2	106.8870	0.019	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:C[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	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[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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO){1|H<1>,3|C<3>}	106.7630	0.000	1	106.7630	0.000	1	106.8870	0.019	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-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[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	C[5](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[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	106.3990	0.000	1	106.3990	0.000	1	106.3990	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2)	C[5](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[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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){4|C<3>}	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C)	C[5](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[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[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>}	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5])	C[5](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[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[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>}	109.9650	0.000	1	109.8143	0.021	3	109.8143	0.021	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5])	C[5](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[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[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>}	109.7390	0.086	2	109.8143	0.021	3	109.8143	0.021	3	108.1115	1.319	854	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C){1|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	107.2185	0.124	2	107.2185	0.015	2	107.2185	0.015	2	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	110.2340	0.535	2	110.2340	0.286	2	110.2340	0.286	2	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[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>}	109.4880	0.000	1	109.4880	0.000	1	109.6070	0.028	2	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[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>}	109.7260	0.000	1	109.7260	0.000	1	109.6070	0.028	2	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	C[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>}	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]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[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[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>}	108.3970	0.000	1	108.3970	0.000	1	108.8968	0.092	6	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]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[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[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>}	109.0180	0.030	2	108.9968	0.040	5	108.8968	0.092	6	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]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[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[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>}	108.9827	0.279	3	108.9968	0.040	5	108.8968	0.092	6	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]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[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[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>}	110.0790	0.315	2	110.0790	0.099	2	110.2465	0.078	4	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]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[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[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>}	110.4140	0.146	2	110.4140	0.021	2	110.2465	0.078	4	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]2Zr){2|H<1>,4|C<3>}	109.0825	0.578	4	109.0825	0.334	4	108.8056	0.265	8	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]DyO){2|H<1>,4|C<3>}	108.5288	0.283	4	108.5288	0.080	4	108.8056	0.265	8	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(PC3){2|H<1>,4|C<3>}	108.3720	0.262	4	108.3720	0.069	4	108.4447	0.140	10	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC){2|H<1>,4|C<3>}	108.5580	0.113	2	108.5580	0.013	2	108.4447	0.140	10	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]3){2|H<1>,4|C<3>}	108.4608	0.576	4	108.4608	0.331	4	108.4447	0.140	10	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]CC){2|H<1>,4|C<3>}	110.0695	0.115	2	110.0695	0.013	2	110.0695	0.013	2	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[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>}	105.6047	0.581	3	105.6047	0.338	3	105.6047	0.338	3	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5](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[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|Si<4>,1|H<1>,4|C<3>}	C[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>}	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:Ge[5]-3:	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5])	C[5](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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]Ge[5]N[5]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	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>}	113.6645	0.575	2	113.6645	0.330	2	113.9655	0.231	4	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:Ge[5]-3:	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl)	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(Ge[5]N[5]Cl){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	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>}	114.2665	0.008	2	114.2665	0.000	2	113.9655	0.231	4	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3){1|H<1>,3|C<3>}	107.0150	0.078	2	107.0150	0.006	2	107.0150	0.006	2	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3){1|H<1>,3|C<3>}	106.9022	0.229	5	106.9022	0.052	5	107.9239	0.989	11	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<3>,1|H<1>,2|C<3>}	108.5940	0.000	1	108.5940	0.000	1	107.9239	0.989	11	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH){1|C<2>,1|H<1>,2|C<3>}	108.7460	0.024	2	108.7460	0.001	2	107.9239	0.989	11	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN){2|C<3>,2|H<1>}	108.6540	0.000	1	108.6540	0.000	1	107.9239	0.989	11	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	108.9310	0.000	1	108.9560	0.001	2	107.9239	0.989	11	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	108.9810	0.000	1	108.9560	0.001	2	107.9239	0.989	11	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]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]C)(C[5]C[5]P){1|C<3>,1|C<4>,3|H<1>}	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[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>}	106.4120	0.000	1	106.4120	0.000	1	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C){2|C<3>,2|H<1>}	107.8530	0.000	1	107.8530	0.000	1	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3){2|C<3>,2|H<1>}	107.2220	0.000	1	107.2220	0.000	1	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC){2|C<3>,2|H<1>}	106.9640	0.000	1	106.9640	0.000	1	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PAuCC){2|C<3>,2|H<1>}	107.1420	0.000	1	107.1420	0.000	1	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,2|H<1>}	107.3190	0.000	1	107.3190	0.000	1	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC){2|C<3>,2|H<1>}	107.3453	0.023	3	107.3453	0.001	3	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,2|H<1>}	108.1520	0.241	3	108.1520	0.058	3	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC){2|C<3>,2|H<1>}	107.3685	0.258	2	107.3685	0.067	2	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){2|C<3>,2|H<1>}	107.2830	0.000	1	107.2830	0.000	1	107.4283	0.241	15	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO){1|H<1>,3|C<3>}	107.0700	0.000	1	107.0700	0.000	1	107.5818	0.107	5	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[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>}	107.6065	0.223	2	107.6065	0.050	2	107.5818	0.107	5	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	107.8130	0.088	2	107.8130	0.008	2	107.5818	0.107	5	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.3580	0.000	1	109.3580	0.000	1	108.7712	0.188	4	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	108.5757	0.230	3	108.5757	0.053	3	108.7712	0.188	4	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]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[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[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(PC[6a]3){2|C<3>,2|H<1>}	111.9400	0.000	1	111.9400	0.000	1	111.9400	0.000	1	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Cu<4>,1|C<3>,1|C<4>,2|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CF3){1|B<4>,1|F<1>,2|C<3>}	103.7167	0.132	3	103.7167	0.018	3	103.7167	0.018	3	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[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>}	114.7700	0.000	1	114.7700	0.000	1	114.7700	0.000	1	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5])	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5]){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(CH3){1|O<1>,1|O<2>,2|C<3>}	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5](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[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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH){5|C<3>}	106.3795	2.818	2	106.3795	7.940	2	108.3065	10.647	4	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5](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[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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH){5|C<3>}	110.2335	3.024	2	110.2335	9.146	2	108.3065	10.647	4	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	C[5](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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CCHH){6|C<3>}	108.3235	0.247	2	108.3235	0.061	2	108.3235	0.061	2	108.4910	4.137	94	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[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[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>}	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-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[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(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[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[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>}	109.2490	0.000	1	109.2490	0.000	1	109.2520	0.000	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[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[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>}	109.2550	0.000	1	109.2550	0.000	1	109.2520	0.000	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5](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[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[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>}	109.5210	0.000	1	109.5210	0.000	1	109.6175	0.019	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5](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[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[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>}	109.7140	0.000	1	109.7140	0.000	1	109.6175	0.019	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]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[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[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>}	110.2745	0.402	2	110.3931	0.314	10	110.3931	0.314	10	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]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[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[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>}	110.6017	0.616	4	110.3931	0.314	10	110.3931	0.314	10	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]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[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[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>}	110.6375	0.285	2	110.3931	0.314	10	110.3931	0.314	10	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]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[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[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>}	109.8500	0.730	2	110.3931	0.314	10	110.3931	0.314	10	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	111.4150	0.000	1	111.4150	0.000	1	111.7225	0.189	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	112.0300	0.000	1	112.0300	0.000	1	111.7225	0.189	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){3|H<1>,5|C<3>}	110.5330	0.000	1	110.5330	0.000	1	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]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[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[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>}	109.9130	0.000	1	109.9130	0.000	1	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.0354	0.282	14	109.9728	0.105	20	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.7078	0.169	4	109.9728	0.105	20	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.0650	0.718	2	109.9728	0.105	20	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.7980	0.397	2	109.8516	0.108	8	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.8440	0.140	4	109.8516	0.108	8	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.9205	0.723	2	109.8516	0.108	8	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.9795	0.129	2	110.0762	0.132	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.3320	0.116	2	110.0762	0.132	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.2268	0.209	6	110.0762	0.132	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.6570	0.571	2	110.0762	0.132	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.7865	0.538	2	110.0762	0.132	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.1252	0.434	4	110.0762	0.132	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.8130	0.310	2	110.0712	0.227	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.9230	0.718	2	110.0712	0.227	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.0242	0.182	6	110.0712	0.227	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.2080	0.626	8	110.0712	0.227	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.2622	0.245	12	110.2623	0.055	13	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.2640	0.000	1	110.2623	0.055	13	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.5825	0.254	2	110.5825	0.064	2	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.8220	0.372	6	110.8220	0.139	6	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.0145	0.066	2	110.1778	0.136	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.7305	0.063	2	110.1778	0.136	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.2651	0.366	14	110.1778	0.136	18	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.7490	0.115	2	110.7490	0.013	2	110.1456	0.173	107	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	109.8920	0.316	4	110.2730	0.211	8	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.6540	0.075	4	110.2730	0.211	8	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.2150	0.318	6	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	109.9829	0.302	8	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	109.9235	0.309	2	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.2120	0.174	2	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	109.8415	0.456	2	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	109.9588	0.565	4	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.0614	0.549	12	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	109.9295	0.560	8	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.4075	0.448	2	110.0420	0.198	46	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.6020	0.259	2	110.6020	0.067	2	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.3670	0.082	2	110.4691	0.096	10	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.5995	0.517	2	110.4691	0.096	10	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.6120	0.334	3	110.4691	0.096	10	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.3073	0.297	3	110.4691	0.096	10	110.1517	0.206	66	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.5470	0.000	1	107.4160	0.034	2	107.3645	0.067	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.2850	0.000	1	107.4160	0.034	2	107.3645	0.067	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[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>}	107.0330	0.000	1	107.0330	0.000	1	107.3645	0.067	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[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>}	107.5930	0.000	1	107.5930	0.000	1	107.3645	0.067	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[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>}	107.9290	0.000	1	107.7130	0.093	2	107.7130	0.093	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[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>}	107.4970	0.000	1	107.7130	0.093	2	107.7130	0.093	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	107.9000	0.000	1	107.9000	0.000	1	108.9627	0.937	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	C[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>}	109.7790	0.157	2	109.7790	0.025	2	108.9627	0.937	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[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>}	108.3930	0.000	1	108.3930	0.000	1	108.9627	0.937	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[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>}	109.0640	0.000	1	109.0640	0.000	1	108.9790	0.014	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[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>}	108.8940	0.000	1	108.8940	0.000	1	108.9790	0.014	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[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>}	108.3870	0.591	2	108.3870	0.349	2	108.3870	0.349	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O)	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[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[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>}	110.4535	0.323	2	110.4535	0.104	2	110.4535	0.104	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O)	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[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[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>}	110.1495	0.062	2	110.1495	0.004	2	110.1495	0.004	2	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	113.2210	0.000	1	113.2210	0.000	1	112.1482	0.760	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	111.1510	0.000	1	111.5020	0.246	2	112.1482	0.760	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	111.8530	0.000	1	111.5020	0.246	2	112.1482	0.760	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H){1|H<1>,1|O<1>,2|C<3>}	112.3680	0.000	1	112.3680	0.000	1	112.1482	0.760	4	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]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,6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	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>}	109.9330	0.134	2	109.9330	0.018	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	110.1912	0.222	5	110.1912	0.049	5	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	109.7910	0.000	1	109.7910	0.000	1	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(O){1|H<1>,5|C<3>}	109.7970	0.277	2	109.7970	0.077	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|N<3>,2|H<1>,4|C<3>}	110.5610	0.000	1	110.5610	0.000	1	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	112.1330	0.000	1	110.8365	3.362	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	109.5400	0.000	1	110.8365	3.362	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,2|H<1>}	110.2000	0.000	1	110.2000	0.000	1	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(O){1|H<1>,1|N<2>,2|C<3>}	109.6180	0.000	1	109.6180	0.000	1	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.0945	0.825	2	110.0945	0.681	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.1190	0.612	2	110.0161	0.164	14	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.0275	0.456	2	110.0161	0.164	14	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.6545	0.303	2	110.0161	0.164	14	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.2590	0.169	4	110.0161	0.164	14	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.2620	0.499	2	110.0161	0.164	14	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(O){1|H<1>,1|O<1>,4|C<3>}	109.5315	0.104	2	110.0161	0.164	14	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	109.0170	0.000	1	109.8474	0.157	12	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	110.6840	0.000	1	109.8474	0.157	12	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	109.8468	0.195	10	109.8474	0.157	12	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	110.0138	0.445	6	110.0640	0.141	9	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	110.1643	0.209	3	110.0640	0.141	9	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.9195	0.315	2	109.9195	0.099	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NN)(O){1|H<1>,1|O<1>,2|C<3>}	110.4133	0.210	6	110.4133	0.044	6	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.0715	0.296	2	110.0715	0.088	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,2|C<3>}	110.5900	0.303	4	110.5900	0.092	4	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.4116	0.806	8	110.4116	0.650	8	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.1279	0.622	10	110.1279	0.387	10	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.2341	0.311	10	110.2341	0.096	10	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	109.9140	0.126	2	109.9140	0.016	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.5980	0.049	2	110.5980	0.002	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C[5])(C[5]C[5]O)	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[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[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>}	109.6365	0.227	2	109.6365	0.052	2	110.1345	0.255	100	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Er)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Er){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]ErC)(H){1|H<1>,2|C<3>}	106.3045	0.146	2	106.3045	0.021	2	106.1564	0.141	7	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Sm)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Sm){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SmC)(H){1|H<1>,2|C<3>}	105.9955	0.073	2	105.9955	0.005	2	106.1564	0.141	7	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H){1|H<1>,2|C<3>}	106.0540	0.805	2	106.1650	0.361	3	106.1564	0.141	7	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H){1|H<1>,2|C<3>}	106.3870	0.000	1	106.1650	0.361	3	106.1564	0.141	7	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]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]C)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	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>}	107.0300	0.000	1	107.0300	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]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]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	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>}	107.4100	0.000	1	107.4100	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){2|C<3>,2|H<1>}	106.6020	0.000	1	106.6020	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){1|H<1>,7|C<3>}	109.1920	0.000	1	109.1920	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.4640	0.000	1	108.4640	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2N[5])(O){1|H<1>,7|C<3>}	108.9520	0.000	1	108.9520	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[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>}	107.9810	0.000	1	108.0585	0.012	2	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.1360	0.000	1	108.0585	0.012	2	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]N)(O){1|H<1>,5|C<3>}	109.2020	0.048	2	109.2020	0.002	2	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,3|C<3>}	109.6580	0.000	1	109.4985	0.051	2	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,3|C<3>}	109.3390	0.000	1	109.4985	0.051	2	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O){1|H<1>,3|C<3>}	109.3990	0.000	1	109.3990	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	108.6540	0.000	1	108.6540	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,3|C<3>}	108.7413	0.144	3	108.7413	0.021	3	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.4260	0.000	1	107.4260	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	107.9040	0.000	1	107.9370	0.002	2	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2N[5])(O){2|H<1>,6|C<3>}	107.9700	0.000	1	107.9370	0.002	2	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[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>}	107.7770	0.000	1	107.8230	0.004	3	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]N[5])(O){2|H<1>,6|C<3>}	107.8460	0.062	2	107.8230	0.004	3	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[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>}	108.5490	0.000	1	108.1755	0.058	6	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	108.1585	0.220	2	108.1755	0.058	6	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	108.1280	0.000	1	108.1755	0.058	6	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	108.0295	0.237	2	108.1755	0.058	6	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.0070	0.000	1	108.0070	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	107.3575	0.349	2	107.3575	0.122	2	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	107.6245	0.157	4	107.6245	0.025	4	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,1|S<4>,2|C<3>}	109.4220	0.000	1	109.4220	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,1|S<4>,2|C<3>}	108.4930	0.000	1	108.4930	0.000	1	108.2211	0.547	38	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CN)(O){1|H<1>,3|C<3>}	108.8380	0.000	1	108.8380	0.000	1	108.3027	0.398	3	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	107.6070	0.000	1	107.6070	0.000	1	108.3027	0.398	3	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(O){1|H<1>,3|C<3>}	108.4630	0.000	1	108.4630	0.000	1	108.3027	0.398	3	109.8046	1.083	361	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	108.6732	2.383	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[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>}	107.4210	0.000	1	107.4210	0.000	1	107.9953	0.817	3	108.6732	2.383	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[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>}	109.0370	0.000	1	109.0370	0.000	1	107.9953	0.817	3	108.6732	2.383	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a]){2|H<1>,4|C<3>}	107.5280	0.000	1	107.5280	0.000	1	107.9953	0.817	3	108.6732	2.383	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	111.1285	0.346	2	111.1285	0.120	2	111.1285	0.120	2	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a]){1|H<1>,3|C<3>}	109.1100	0.378	2	109.1100	0.143	2	109.9932	0.812	5	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH){1|H<1>,1|O<1>,2|C<3>}	110.7190	0.000	1	110.7190	0.000	1	109.9932	0.812	5	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	110.5135	0.689	2	110.5135	0.475	2	109.9932	0.812	5	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	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[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[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>}	110.4315	0.803	4	110.3018	0.435	6	109.9141	1.414	7	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	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[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[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>}	110.0425	0.197	2	110.3018	0.435	6	109.9141	1.414	7	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]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[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[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>}	107.5880	0.000	1	107.5880	0.000	1	109.9141	1.414	7	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[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>}	107.9820	0.000	1	107.9820	0.000	1	109.0660	2.254	4	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]C){1|H<1>,3|C<3>}	108.8370	0.000	1	108.8370	0.000	1	109.0660	2.254	4	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	C[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>}	108.1940	0.000	1	108.1940	0.000	1	109.0660	2.254	4	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|H<1>,1|S<4>,2|C<3>}	111.2510	0.000	1	111.2510	0.000	1	109.0660	2.254	4	109.8826	1.438	18	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[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[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>}	110.5907	0.126	4	110.4140	0.168	5	110.4140	0.168	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[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[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>}	109.7070	0.000	1	110.4140	0.168	5	110.4140	0.168	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[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[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>}	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]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[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[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>}	110.6135	0.845	2	110.4865	0.468	6	110.4865	0.468	6	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]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[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[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>}	110.4230	0.725	4	110.4865	0.468	6	110.4865	0.468	6	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.9815	0.724	4	110.1459	0.370	8	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.3102	0.518	4	110.1459	0.370	8	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.3385	0.404	2	109.8845	0.103	26	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.8020	0.263	16	109.8845	0.103	26	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.8907	0.348	6	109.8845	0.103	26	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.0715	0.422	2	109.8845	0.103	26	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.9733	0.390	10	109.9733	0.152	10	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	110.0595	0.530	10	110.0595	0.281	10	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]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[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[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>}	109.7730	0.132	2	109.7730	0.017	2	109.9649	0.176	56	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]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[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[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>}	109.8804	0.148	10	109.8804	0.022	10	109.9581	0.044	13	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]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[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[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>}	110.2170	0.189	3	110.2170	0.036	3	109.9581	0.044	13	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.2400	0.512	6	110.3010	0.233	8	110.3416	0.160	14	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.4840	0.485	2	110.3010	0.233	8	110.3416	0.160	14	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.4370	0.068	2	110.4370	0.005	2	110.3416	0.160	14	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.2850	0.614	2	110.2850	0.377	2	110.3416	0.160	14	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]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[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[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>}	110.4650	0.027	2	110.4650	0.001	2	110.3416	0.160	14	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.3870	0.000	1	108.3870	0.000	1	108.1620	0.292	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.5570	0.000	1	107.5570	0.000	1	108.1620	0.292	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.1160	0.000	1	107.9590	0.049	2	108.1620	0.292	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	C[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>}	107.8020	0.000	1	107.9590	0.049	2	108.1620	0.292	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S){1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.9480	0.000	1	108.9480	0.000	1	108.1620	0.292	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	107.5270	0.000	1	107.5270	0.000	1	108.0160	0.192	3	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[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>}	108.2605	0.159	2	108.2605	0.025	2	108.0160	0.192	3	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[3,5]C[3,5]C[3])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[3,5]C[3,5]C[3])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[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>}	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[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>}	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	108.3500	0.045	2	108.3500	0.002	2	108.0597	1.212	8	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[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>}	107.1355	0.062	4	107.1355	0.004	4	108.0597	1.212	8	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	C[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>}	109.4910	0.000	1	109.4910	0.000	1	108.0597	1.212	8	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[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>}	109.7450	0.000	1	109.7450	0.000	1	108.0597	1.212	8	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[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>}	108.6520	0.000	1	108.6520	0.000	1	108.5592	0.056	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	108.8800	0.000	1	108.7230	0.049	2	108.5592	0.056	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[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>}	108.5660	0.000	1	108.7230	0.049	2	108.5592	0.056	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[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>}	108.3490	0.161	2	108.3490	0.026	2	108.5592	0.056	5	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[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>}	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[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>}	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[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>}	107.3035	0.302	2	107.3035	0.091	2	107.6185	0.377	4	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[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>}	108.5010	0.000	1	108.5010	0.000	1	107.6185	0.377	4	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[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>}	107.3660	0.000	1	107.3660	0.000	1	107.6185	0.377	4	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[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>}	108.7980	0.000	2	108.7980	0.000	2	108.7980	0.000	2	109.6323	0.911	126	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	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[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[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>}	108.6835	0.835	2	108.6835	0.697	2	108.6835	0.697	2	109.4619	0.432	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.6910	0.302	4	109.6910	0.091	4	109.6910	0.091	4	109.4619	0.432	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[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>}	108.7290	0.000	1	108.7290	0.000	1	109.7378	0.469	4	109.4619	0.432	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[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>}	110.2330	0.000	1	110.2330	0.000	1	109.7378	0.469	4	109.4619	0.432	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	110.0700	0.000	1	110.0700	0.000	1	109.7378	0.469	4	109.4619	0.432	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	109.9190	0.000	1	109.9190	0.000	1	109.7378	0.469	4	109.4619	0.432	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	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[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[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>}	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	109.4619	0.432	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	C[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>}	109.1130	0.000	1	109.1130	0.000	1	109.1130	0.000	1	109.1130	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<2>,1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O){1|C<2>,2|C<3>,2|C<4>}	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	109.0915	0.349	2	109.0915	0.122	2	109.0915	0.122	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	106.5820	0.000	1	106.5820	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	109.2150	0.000	1	109.2150	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	109.0540	0.000	1	109.0540	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	C[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>}	108.4590	1.058	6	108.4590	1.120	6	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|O<2>}	110.9390	0.000	1	110.9390	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<4>,3|C<3>}	108.1450	0.000	1	108.1450	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){1|O<1>,1|O<2>,2|C<3>}	C[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>}	108.4560	0.000	1	108.4560	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	108.2160	0.000	1	108.2160	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|Br<1>,1|C<3>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,2|C<3>,2|H<1>}	108.6770	0.000	1	108.6770	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	107.8280	0.000	1	107.8280	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	107.9370	0.000	1	107.9370	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	107.7080	0.153	2	107.7080	0.023	2	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	108.8708	0.425	4	108.6317	0.150	12	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	108.5500	0.054	2	108.6317	0.150	12	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	108.0730	0.000	1	108.6317	0.150	12	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	108.5848	0.368	5	108.6317	0.150	12	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	108.5408	0.650	4	108.5242	0.321	9	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	109.4840	0.000	1	108.5242	0.321	9	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	108.2678	0.197	4	108.5242	0.321	9	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|O<1>,2|H<1>}	C[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>}	108.2440	0.081	2	108.2440	0.006	2	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	108.7360	0.000	1	108.3867	0.118	11	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	108.1883	0.295	3	108.3867	0.118	11	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	108.3380	0.000	1	108.3867	0.118	11	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	107.9730	0.127	2	108.3867	0.118	11	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	108.6970	0.000	1	108.3867	0.118	11	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	108.5535	0.165	2	108.3867	0.118	11	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	108.8650	0.000	1	108.3867	0.118	11	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	109.5740	0.000	1	108.5063	0.132	37	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	108.4767	0.320	36	108.5063	0.132	37	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	108.0880	0.175	5	108.0813	0.025	6	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	108.0480	0.000	1	108.0813	0.025	6	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	107.9585	0.175	2	107.9585	0.031	2	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	108.9235	0.479	2	108.9235	0.229	2	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	108.6040	0.000	1	108.6844	0.424	5	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	109.5050	0.000	1	108.6844	0.424	5	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	108.2810	0.829	2	108.6844	0.424	5	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	108.7510	0.000	1	108.6844	0.424	5	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|O<2>}	108.6520	0.000	1	108.6520	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	C[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>}	108.8550	0.000	1	108.8550	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	C[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>}	107.8680	0.000	1	107.8680	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	108.1380	0.000	1	108.6833	0.257	3	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	108.9560	0.262	2	108.6833	0.257	3	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,1|N<3>,2|O<1>}	C[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>}	108.3990	0.000	1	108.3990	0.000	1	108.4729	0.312	111	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,1|O<1>,2|H<1>}	C[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>}	111.4920	0.000	1	111.4920	0.000	1	111.1256	0.209	73	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O){1|H<1>,2|C<3>,2|O<1>}	111.1206	0.458	72	111.1206	0.210	72	111.1256	0.209	73	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO){1|C<3>,1|N<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(N){1|H<1>,2|C<3>,2|O<1>}	112.6700	0.000	2	112.6700	0.000	2	112.6700	0.000	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO)	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[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[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>}	107.5850	0.000	1	107.3375	0.123	2	107.3375	0.123	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO)	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[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]O[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[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>}	107.0900	0.000	1	107.3375	0.123	2	107.3375	0.123	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-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]H)(C[5]O[5]O)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	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[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	108.8045	0.098	2	108.8045	0.010	2	108.8045	0.010	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	108.0705	0.200	2	108.0705	0.040	2	108.6047	0.195	7	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.0000	0.011	2	109.0000	0.000	2	108.6047	0.195	7	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	108.3130	0.000	1	108.3130	0.000	1	108.6047	0.195	7	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	108.8895	0.008	2	108.8895	0.000	2	108.6047	0.195	7	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	106.9750	0.000	1	106.9750	0.000	1	106.7770	0.078	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	106.5790	0.000	1	106.5790	0.000	1	106.7770	0.078	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	108.5450	0.000	1	108.5450	0.000	1	108.4437	0.239	4	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	108.2510	0.000	1	108.0820	0.057	2	108.4437	0.239	4	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	107.9130	0.000	1	108.0820	0.057	2	108.4437	0.239	4	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH){1|O<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	109.0660	0.000	1	109.0660	0.000	1	108.4437	0.239	4	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	107.4370	0.000	1	107.4370	0.000	1	107.4875	0.005	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH){1|N<2>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	107.5380	0.000	1	107.5380	0.000	1	107.4875	0.005	2	109.4162	2.055	209	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|H<1>,2|C<3>,2|C<4>}	108.6090	0.000	1	108.6090	0.000	1	108.0307	0.730	6	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|C<4>,2|C<3>,2|H<1>}	108.2280	0.000	1	108.2280	0.000	1	108.0307	0.730	6	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS){1|C<4>,2|C<3>,2|H<1>}	107.1670	0.000	1	107.3637	0.221	3	108.0307	0.730	6	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS){1|C<4>,2|C<3>,2|H<1>}	107.4620	0.619	2	107.3637	0.221	3	108.0307	0.730	6	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|N<2>,2|H<1>}	C[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>}	109.2560	0.000	1	109.2560	0.000	1	108.0307	0.730	6	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]){1|H<1>,2|C<3>,2|O<1>}	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	109.0671	0.242	7	109.0671	0.059	7	109.3571	0.570	16	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6]){1|H<1>,2|C<3>,2|O<1>}	109.3780	0.113	2	109.3780	0.013	2	109.3571	0.570	16	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a]){1|H<1>,2|C<3>,2|O<1>}	109.0288	0.331	5	109.0288	0.110	5	109.3571	0.570	16	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OCo){1|H<1>,2|C<3>,2|O<1>}	111.0580	0.000	1	111.0580	0.000	1	109.3571	0.570	16	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(ONi){1|H<1>,2|C<3>,2|O<1>}	111.2860	0.000	1	111.2860	0.000	1	109.3571	0.570	16	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a]){1|H<1>,2|C<3>,2|O<1>}	109.2360	0.000	1	109.2360	0.000	1	109.9940	0.478	3	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SPd){1|H<1>,2|C<3>,2|O<1>}	110.3730	0.305	2	110.3730	0.093	2	109.9940	0.478	3	109.2010	1.130	26	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,2|C<3>}	C[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>}	108.3925	0.026	2	108.3925	0.001	2	108.0152	0.203	5	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	C[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>}	107.2980	0.000	1	107.2980	0.000	1	108.0152	0.203	5	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){2|C<3>,2|H<1>}	C[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>}	107.9250	0.000	1	107.9250	0.000	1	108.0152	0.203	5	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){2|C<3>,3|H<1>}	108.0680	0.000	1	108.0680	0.000	1	108.0152	0.203	5	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){2|C<3>,2|H<1>}	C[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>}	111.4130	0.000	1	111.4130	0.000	1	110.1935	0.752	4	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH){1|H<1>,2|C<3>,2|O<1>}	110.2140	0.000	1	110.2140	0.000	1	110.1935	0.752	4	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI){1|H<1>,2|C<3>,2|O<1>}	109.5550	0.000	1	109.5550	0.000	1	110.1935	0.752	4	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[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>}	109.5920	0.000	1	109.5920	0.000	1	110.1935	0.752	4	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH){1|H<1>,2|C<3>,2|O<1>}	109.5110	0.123	2	109.5110	0.015	2	109.3285	0.186	8	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	C[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>}	108.8800	0.815	2	108.8800	0.664	2	109.3285	0.186	8	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	C[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>}	109.4900	0.277	2	109.4900	0.077	2	109.3285	0.186	8	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	C[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>}	109.4330	0.054	2	109.4330	0.003	2	109.3285	0.186	8	109.1458	0.964	17	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH){1|H<1>,2|C<3>,2|O<1>}	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[4,6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO)	C[5](C[5,6a]C[5,6a]2)(C[5]S[5]Si)(H)	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO){1|Si<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]S[5]Si)(H){2|O<1>,3|C<3>}	111.6165	0.124	2	111.6165	0.015	2	111.6165	0.015	2	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	108.1497	0.580	4	108.1497	0.336	4	108.2632	0.317	5	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HO)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	108.7170	0.000	1	108.7170	0.000	1	108.2632	0.317	5	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O)	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[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>}	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	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>}	107.5220	0.000	1	107.5220	0.000	1	107.9985	0.454	2	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|Br<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H){2|C<3>,3|H<1>}	108.4750	0.000	1	108.4750	0.000	1	107.9985	0.454	2	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	107.7575	0.339	2	107.7575	0.115	2	107.7575	0.115	2	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	109.5985	0.228	2	109.5985	0.052	2	109.8905	0.063	6	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[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>}	110.0365	0.048	4	110.0365	0.002	4	109.8905	0.063	6	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<3>,2|C<4>}	C[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>}	107.8200	0.000	1	107.8200	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	107.3750	0.330	2	107.3750	0.109	2	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|B<3>,2|C<3>,2|H<1>}	107.8880	0.000	1	107.8880	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	107.8200	0.000	1	107.8200	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|C<4>,2|C<3>,2|H<1>}	107.9130	0.000	1	107.9130	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	C[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>}	108.3557	0.183	3	108.3557	0.033	3	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,3|C<3>}	109.5190	0.000	1	109.5190	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,3|C<3>,4|H<1>}	108.2730	0.000	1	108.1640	0.024	2	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){2|C<3>,3|C<4>,3|H<1>}	108.0550	0.000	1	108.1640	0.024	2	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,1|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H){2|C<3>,3|H<1>}	107.9350	0.000	1	108.0165	0.013	2	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H){2|C<3>,3|H<1>}	108.0980	0.000	1	108.0165	0.013	2	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	108.3380	0.000	1	108.0857	0.087	3	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	107.9595	0.279	2	108.0857	0.087	3	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[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>}	108.6020	0.000	1	108.3720	0.040	3	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[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>}	108.2570	0.000	2	108.3720	0.040	3	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	108.0650	0.000	1	108.0650	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	C[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>}	108.9030	0.000	1	108.9030	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){2|C<3>,3|H<1>}	108.2360	0.000	1	108.2360	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	C[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>}	107.8620	0.000	1	107.8620	0.000	1	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){3|H<1>,4|C<3>}	108.6037	0.837	4	108.6037	0.700	4	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	108.0525	0.344	2	108.0525	0.119	2	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<3>,2|C<3>,2|H<1>}	107.7803	0.214	3	107.9948	0.214	4	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<4>,2|C<3>,2|H<1>}	108.6380	0.000	1	107.9948	0.214	4	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|P<4>,2|C<3>,2|H<1>}	108.9330	0.161	4	108.9330	0.026	4	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[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>}	108.3950	0.420	2	108.3950	0.176	2	108.2649	0.281	40	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	109.7620	0.000	1	109.7620	0.000	1	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	109.6363	0.248	3	109.6363	0.061	3	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[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>}	110.0740	0.000	1	109.8457	0.134	3	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.7315	0.436	2	109.8457	0.134	3	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,3|C<3>,3|H<1>}	109.7952	0.253	4	109.7952	0.064	4	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	109.8700	0.210	4	109.5472	0.177	33	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	109.7795	0.394	2	109.5472	0.177	33	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	109.4821	0.426	27	109.5472	0.177	33	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[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>}	110.0050	0.000	1	110.0050	0.000	1	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){2|C<3>,3|H<1>}	110.0130	0.000	1	110.0130	0.000	1	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	109.7040	0.665	2	109.7040	0.442	2	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	109.5880	0.000	1	109.5673	0.001	3	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	109.5570	0.037	2	109.5673	0.001	3	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|P<4>,2|C<3>,2|H<1>}	110.0300	0.000	1	110.0300	0.000	1	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[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>}	109.6110	0.000	1	109.6110	0.000	1	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	109.2510	0.000	1	109.2510	0.000	1	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>}	111.9980	0.000	1	111.9980	0.000	1	109.6630	0.247	55	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	109.1680	0.000	1	109.1680	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	108.5560	0.475	2	108.5560	0.226	2	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	107.0820	0.000	1	107.0820	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	108.6760	0.000	1	108.6760	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>}	C[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>}	108.3960	0.000	1	108.3960	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[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>}	108.2660	0.000	1	108.2660	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	108.8980	0.000	1	108.8980	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.7460	0.000	1	108.7460	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	108.9180	0.000	1	108.6870	0.107	2	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	108.4560	0.000	1	108.6870	0.107	2	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,1|H<1>,3|C<3>}	109.7180	0.000	1	109.7180	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF){1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.0450	0.000	1	109.0450	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	108.3413	0.345	3	108.9546	0.771	5	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	109.8745	0.161	2	108.9546	0.771	5	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	108.6723	0.311	4	108.6065	0.079	6	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	108.4750	0.232	2	108.6065	0.079	6	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|C<4>,2|C<3>,2|H<1>}	109.1490	0.202	3	109.1490	0.041	3	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	109.4850	0.000	1	109.3540	0.016	3	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	109.2885	0.076	2	109.3540	0.016	3	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	109.2155	0.538	2	109.2155	0.290	2	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.6960	0.000	1	109.0780	0.248	9	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.8400	0.000	1	109.0780	0.248	9	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	C[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>}	108.4800	0.088	2	109.0780	0.248	9	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.2412	0.318	5	109.0780	0.248	9	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[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>}	109.7460	0.000	1	109.7460	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[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>}	108.2000	0.000	1	108.4758	0.072	10	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[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>}	108.5064	0.265	9	108.4758	0.072	10	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[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>}	109.3765	0.398	2	109.0850	0.170	4	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	108.7935	0.105	2	109.0850	0.170	4	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.6970	0.000	1	108.6970	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|F<1>}	108.5050	0.000	1	108.5050	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	108.6640	0.421	18	108.7934	0.227	22	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	109.4260	0.000	1	108.7934	0.227	22	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	109.3590	0.225	3	108.7934	0.227	22	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[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>}	109.1670	0.215	2	109.1670	0.046	2	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	109.1886	0.299	24	109.1886	0.089	24	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	108.5630	0.000	1	108.5630	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[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>}	109.4720	0.000	1	109.4720	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	108.5000	0.252	6	108.5000	0.064	6	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.0050	0.000	1	109.0050	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.8950	0.000	1	108.5877	0.071	3	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.4340	0.004	2	108.5877	0.071	3	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[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>}	108.3245	0.104	4	108.3245	0.011	4	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	108.8945	1.135	2	108.8945	1.288	2	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	108.4615	0.279	2	108.4615	0.078	2	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	107.7140	0.000	1	107.7140	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|O<2>,3|C<3>}	108.2030	0.000	1	108.2030	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,3|H<1>}	109.8290	0.000	1	109.8290	0.000	1	108.8562	0.267	129	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	C[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>}	113.4615	0.349	2	113.4615	0.122	2	113.4615	0.122	2	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(S[5]C[5]OO){1|H<1>,1|O<2>,3|C<3>}	C[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>}	113.0530	0.000	1	113.0530	0.000	1	113.0816	0.133	5	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,3|H<1>}	C[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>}	112.9740	0.000	1	112.9740	0.000	1	113.0816	0.133	5	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	113.1270	0.506	3	113.1270	0.256	3	113.0816	0.133	5	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[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>}	112.8310	0.000	1	113.2150	0.295	2	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[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>}	113.5990	0.000	1	113.2150	0.295	2	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|O<1>,2|C<3>,2|H<1>}	C[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>}	113.4805	0.288	2	113.4805	0.083	2	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Br)(O){1|H<1>,2|C<3>,2|O<1>}	113.5400	0.258	3	113.5400	0.067	3	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	113.0714	0.348	40	113.1927	0.207	47	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	113.8859	0.378	7	113.1927	0.207	47	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O){1|H<1>,2|C<3>,2|O<1>}	112.4980	0.361	25	112.4980	0.130	25	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]I)(O){1|H<1>,2|C<3>,2|O<1>}	112.6261	0.291	9	112.6261	0.085	9	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Mn<6>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Mn)(O){1|H<1>,2|C<3>,2|O<1>}	111.7355	0.162	2	111.7355	0.026	2	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O){1|H<1>,2|C<3>,2|O<1>}	112.0520	0.000	1	111.9980	0.006	2	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Ni)(O){1|H<1>,2|C<3>,2|O<1>}	111.9440	0.000	1	111.9980	0.006	2	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<3>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O){1|H<1>,2|C<3>,2|O<1>}	112.0920	0.061	2	112.0592	0.224	20	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(O){1|H<1>,2|C<3>,2|O<1>}	112.0556	0.500	18	112.0592	0.224	20	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(O){1|H<1>,2|C<3>,2|O<1>}	113.7570	0.000	1	113.7570	0.000	1	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Sn<5>,1|C<3>,1|O<1>,2|H<1>}	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>}	111.9640	0.000	1	111.9640	0.000	1	112.7590	0.414	114	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Si[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){2|H<1>,3|C<3>}	C[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>}	115.1260	0.000	1	115.1260	0.000	1	115.1260	0.000	1	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5](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[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	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>}	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH)	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[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H){1|O<1>,2|H<1>,6|C<3>}	C[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>}	110.0950	0.000	1	110.0950	0.000	1	109.8295	0.141	2	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]CO)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]CO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	109.5640	0.000	1	109.5640	0.000	1	109.8295	0.141	2	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[4,6a]-3:S[5]-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]S[5]Si)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<2>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO){1|Si<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]S[5]Si)(H){2|O<1>,3|C<3>}	111.5445	0.008	2	111.5445	0.000	2	111.5445	0.000	2	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]S)(O)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]HH)	C[5](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[5,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]HH){1|C<4>,1|O<1>,1|O<2>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	109.2543	0.136	3	109.2543	0.018	3	109.2543	0.018	3	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	108.4420	0.000	1	108.4420	0.000	1	108.9688	2.028	4	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH){1|O<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	107.2670	0.000	1	107.2670	0.000	1	108.9688	2.028	4	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO){1|O<1>,5|C<3>}	C[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>}	109.6200	0.000	1	109.6200	0.000	1	108.9688	2.028	4	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	110.5460	0.000	1	110.5460	0.000	1	108.9688	2.028	4	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH)	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[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>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:S[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO)	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O){2|O<1>,3|C<3>}	112.9320	0.149	3	112.9320	0.022	3	112.9320	0.022	3	110.2383	3.760	384	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,2|H<1>}	C[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>}	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[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>}	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[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>}	110.2790	0.000	1	110.3230	0.004	2	110.3230	0.004	2	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	C[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>}	110.3670	0.000	1	110.3230	0.004	2	110.3230	0.004	2	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<2>,2|C<3>,2|H<1>}	C[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>}	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OFe){2|C<3>,3|H<1>}	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]){2|C<3>,3|H<1>}	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<2>}	C[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>}	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	C[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>}	106.9400	0.163	2	106.9400	0.026	2	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[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>}	107.7965	0.183	2	107.7965	0.034	2	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5]){2|C<3>,3|H<1>}	108.0850	0.000	1	108.0850	0.000	1	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN){2|C<3>,3|H<1>}	109.6600	0.000	1	109.6600	0.000	1	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC[6a]){2|C<3>,3|H<1>}	105.7890	0.000	1	105.7890	0.000	1	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<2>,2|C<3>,2|H<1>}	C[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>}	108.6840	0.000	1	108.6840	0.000	1	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<2>,2|C<3>,2|H<1>}	C[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>}	108.5810	0.000	1	108.5810	0.000	1	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	C[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>}	108.0870	0.000	1	108.0870	0.000	1	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[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>}	106.3995	0.992	2	106.5433	0.399	4	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	C[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>}	106.6870	0.359	2	106.5433	0.399	4	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[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>}	107.0760	0.083	2	107.0760	0.007	2	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	C[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>}	107.2305	0.023	2	107.2305	0.001	2	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	C[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>}	105.6050	0.000	2	105.6050	0.000	2	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	C[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>}	107.6465	0.272	2	107.6465	0.074	2	107.2567	1.099	22	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(ORe){2|C<3>,3|H<1>}	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,2|C<3>,2|O<1>}	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	C[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>}	109.2575	0.808	2	109.2575	0.653	2	109.2575	0.653	2	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Pd)(OPd){1|H<1>,2|C<3>,2|O<1>}	111.8573	0.301	6	111.8573	0.091	6	111.8573	0.091	6	108.4644	3.690	40	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|N<3>,2|C<3>,2|H<1>}	C[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>}	110.7850	0.000	1	110.7850	0.000	1	110.7850	0.000	1	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	C[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>}	109.0740	0.000	1	109.0740	0.000	1	110.1255	2.211	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	C[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>}	111.1770	0.000	1	111.1770	0.000	1	110.1255	2.211	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.4800	0.000	1	108.4800	0.000	1	107.4018	0.312	6	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,2|C<3>,2|H<1>}	C[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>}	107.4410	0.000	1	107.1862	0.042	5	107.4018	0.312	6	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	C[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>}	107.1225	0.170	4	107.1862	0.042	5	107.4018	0.312	6	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[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>}	108.2800	0.000	1	108.2800	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[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>}	107.1980	0.000	1	107.1980	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[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>}	108.8120	0.000	1	108.8120	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[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>}	108.4760	0.000	1	108.4760	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[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>}	108.3130	0.378	2	108.3130	0.143	2	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.6170	0.000	1	108.6170	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[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>}	107.8905	0.658	2	107.9967	0.224	4	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[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>}	108.4130	0.000	1	107.9967	0.224	4	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[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>}	107.7930	0.000	1	107.9967	0.224	4	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[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>}	109.0750	0.000	1	109.0750	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.1770	0.000	1	108.2320	0.006	2	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.2870	0.000	1	108.2320	0.006	2	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	C[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>}	107.8580	0.000	1	107.8580	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|H<1>,3|C<3>}	C[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>}	109.1155	0.023	2	109.1155	0.001	2	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.3010	0.000	1	108.3010	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	109.0770	0.000	1	108.8740	0.293	5	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.6690	0.000	1	108.8740	0.293	5	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.4680	0.311	2	108.8740	0.293	5	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	C[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>}	109.6880	0.000	1	108.8740	0.293	5	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[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>}	108.3140	0.000	1	108.3140	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[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>}	109.1740	0.000	1	109.1740	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[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>}	108.8530	0.000	1	108.8530	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	C[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>}	108.9550	0.000	1	108.9550	0.000	1	108.5034	0.313	27	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]HW)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]HW){2|H<1>,3|C<3>}	C[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>}	113.5310	0.000	1	113.5310	0.000	1	113.7430	0.090	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]OO){2|H<1>,3|C<3>}	C[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>}	113.9550	0.000	1	113.9550	0.000	1	113.7430	0.090	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[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>}	113.3107	0.374	4	113.3107	0.140	4	113.3107	0.140	4	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[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>}	113.2871	0.436	8	113.2871	0.190	8	113.2871	0.190	8	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[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>}	112.7050	0.000	1	112.7050	0.000	1	112.9430	0.113	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[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>}	113.1810	0.000	1	113.1810	0.000	1	112.9430	0.113	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,2|C<3>,2|H<1>}	C[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>}	112.5220	0.000	1	112.5220	0.000	1	112.5220	0.000	1	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	C[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>}	107.8880	0.000	1	107.8880	0.000	1	108.8249	1.117	8	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO){2|C<3>,3|H<1>}	107.8880	0.000	1	107.8880	0.000	1	108.8249	1.117	8	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[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>}	109.5920	0.000	1	109.5920	0.000	1	108.8249	1.117	8	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N){2|C<3>,3|H<1>}	108.7503	0.046	3	108.7503	0.002	3	108.8249	1.117	8	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C){3|H<1>,4|C<3>}	107.9790	0.000	1	107.9790	0.000	1	108.8249	1.117	8	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[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>}	111.0010	0.000	1	111.0010	0.000	1	108.8249	1.117	8	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[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>}	109.7000	0.020	2	109.7000	0.000	2	109.7000	0.000	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|C<3>,3|H<1>}	107.9500	0.000	1	107.9500	0.000	1	107.8110	0.039	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS){2|C<3>,3|H<1>}	107.6720	0.000	1	107.6720	0.000	1	107.8110	0.039	2	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[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>}	107.7370	0.000	1	107.7370	0.000	1	108.1637	0.248	3	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN){2|C<3>,3|H<1>}	108.0430	0.000	1	108.0430	0.000	1	108.1637	0.248	3	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2){3|H<1>,4|C<3>}	108.7110	0.000	1	108.7110	0.000	1	108.1637	0.248	3	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCoC){2|C<3>,3|H<1>}	107.2040	0.000	1	107.2040	0.000	1	107.4158	0.405	14	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC){2|C<3>,3|H<1>}	108.3080	0.000	1	108.3080	0.000	1	107.4158	0.405	14	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NCH){2|C<3>,3|H<1>}	106.7360	0.000	1	106.7360	0.000	1	107.4158	0.405	14	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H){3|H<1>,4|C<3>}	107.6880	0.000	1	107.6880	0.000	1	107.4158	0.405	14	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]Pd){3|H<1>,4|C<3>}	107.6649	0.319	8	107.6649	0.102	8	107.4158	0.405	14	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	C[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>}	106.0430	0.000	1	106.0430	0.000	1	107.4158	0.405	14	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]OO){1|Cl<1>,1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NHH){1|H<1>,2|C<3>,2|O<2>}	106.5230	0.000	1	106.5230	0.000	1	107.4158	0.405	14	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	C[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>}	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC){1|H<1>,2|C<3>,2|O<1>}	112.8405	0.078	2	112.8925	0.203	4	112.8925	0.203	4	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC){1|H<1>,2|C<3>,2|O<1>}	112.9445	0.770	2	112.8925	0.203	4	112.8925	0.203	4	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	C[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>}	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH){1|H<1>,2|C<3>,2|O<1>}	113.2720	0.000	1	113.2720	0.000	1	113.1733	0.042	3	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS){1|H<1>,2|C<3>,2|O<1>}	113.1240	0.263	2	113.1240	0.069	2	113.1733	0.042	3	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO){2|H<1>,3|C<3>}	106.7520	0.000	1	106.7520	0.000	1	106.7520	0.000	1	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS){2|C<3>,3|H<1>}	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS){2|H<1>,3|C<3>}	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	C[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>}	107.0673	0.104	4	107.0673	0.011	4	107.0673	0.011	4	109.4686	5.617	98	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]FF)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2){1|C<4>,1|O<2>,4|F<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]FF){1|H<1>,2|F<1>,5|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF){1|O<2>,2|F<1>,7|C<3>}	114.9220	0.000	1	114.9220	0.000	1	114.9220	0.000	1	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<4>,1|C<3>,3|H<1>}	C[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>}	109.2110	0.165	2	109.2110	0.027	2	109.2110	0.027	2	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	106.9465	0.402	2	106.9465	0.162	2	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,3|H<1>}	108.6980	0.000	1	108.6980	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<4>,2|C<3>,2|H<1>}	108.6070	0.000	1	108.6070	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	108.7830	0.000	1	108.7830	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	109.0590	0.000	1	109.0590	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	107.6260	0.000	1	107.6260	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	108.6748	0.362	5	108.6748	0.131	5	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH){2|C<3>,3|H<1>}	108.4990	0.000	1	108.4990	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){2|C<3>,3|H<1>}	108.7670	0.000	1	108.7670	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	108.3415	0.026	2	108.3415	0.001	2	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	108.7840	0.000	1	108.7840	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[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>}	109.5970	0.000	1	109.5970	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.8865	0.332	2	108.8865	0.110	2	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<4>,2|C<3>,2|H<1>}	C[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>}	108.6100	0.000	1	108.6100	0.000	1	108.5120	0.435	21	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[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>}	107.2900	0.132	2	107.4224	0.359	8	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[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>}	107.4665	0.700	6	107.4224	0.359	8	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[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>}	108.2700	0.000	1	108.2700	0.000	1	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[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>}	110.3138	0.085	5	110.0888	0.090	15	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	C[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>}	110.0768	0.153	4	110.0888	0.090	15	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[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>}	109.9093	0.379	6	110.0888	0.090	15	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[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>}	109.7255	0.196	4	109.7255	0.038	4	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[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>}	107.4790	0.000	1	107.4790	0.000	1	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]O)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[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>}	109.3810	1.271	2	109.1714	0.474	5	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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]O)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[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>}	109.0317	0.257	3	109.1714	0.474	5	109.1535	1.448	34	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){1|B<4>,2|C<3>,2|H<1>}	107.5820	0.000	1	107.5820	0.000	1	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|P<4>,3|H<1>}	C[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>}	107.8990	0.000	1	107.8990	0.000	1	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	C[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>}	107.5190	0.445	2	107.5190	0.198	2	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[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>}	106.9920	0.114	3	106.9920	0.013	3	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PAuCC){2|C<3>,3|H<1>}	108.1473	0.230	3	108.1473	0.053	3	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS){2|C<3>,3|H<1>}	109.0890	0.000	1	109.0890	0.000	1	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,3|H<1>}	109.3400	0.000	1	108.1745	2.717	2	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,3|H<1>}	107.0090	0.000	1	108.1745	2.717	2	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PPtCC){2|C<3>,3|H<1>}	107.7855	0.499	2	107.7855	0.249	2	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC){2|C<3>,3|H<1>}	107.5864	0.206	8	107.5864	0.042	8	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,3|H<1>}	109.0628	0.306	5	108.8388	0.376	6	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,3|H<1>}	107.7190	0.000	1	108.8388	0.376	6	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS){2|C<3>,3|H<1>}	108.7675	0.244	2	108.7675	0.060	2	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PIrCC){2|C<3>,3|H<1>}	108.4420	0.426	2	108.4420	0.181	2	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC){2|C<3>,3|H<1>}	109.3010	0.000	2	109.3010	0.000	2	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){2|C<3>,3|H<1>}	108.2110	0.190	2	108.1857	0.020	3	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){2|C<3>,3|H<1>}	108.1350	0.000	1	108.1857	0.020	3	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){2|C<3>,3|H<1>}	108.0460	0.434	2	108.0460	0.188	2	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru){3|H<1>,4|C<3>}	107.9390	0.000	1	107.9390	0.000	1	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	C[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>}	107.8040	0.000	1	107.8040	0.000	1	108.0972	0.520	42	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH){1|H<1>,2|C<3>,2|O<1>}	110.2350	1.003	2	110.2350	1.005	2	110.2350	1.005	2	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[3,5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5]){1|C<4>,3|C<3>,7|H<1>}	C[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>}	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:P[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)	C[5](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[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH){1|H<1>,1|O<1>,3|C<3>}	116.0220	0.000	1	116.0220	0.000	1	116.0220	0.000	1	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	C[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>}	108.5970	0.000	1	108.5970	0.000	1	108.6736	0.569	11	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[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>}	107.6850	0.000	1	107.6850	0.000	1	108.6736	0.569	11	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[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>}	108.7920	0.757	9	108.7920	0.572	9	108.6736	0.569	11	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[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>}	108.4500	0.322	2	108.4500	0.104	2	108.2603	0.160	3	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	C[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>}	107.8810	0.000	1	107.8810	0.000	1	108.2603	0.160	3	108.7291	1.773	118	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5,6]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H)	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[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>}	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H){1|C<2>,2|C<3>,2|H<1>}	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	108.6570	0.000	1	108.0625	0.707	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	107.4680	0.000	1	108.0625	0.707	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	108.7505	0.045	2	108.7505	0.002	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	108.1080	0.000	1	108.1080	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	109.2850	0.000	1	109.2850	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	109.3798	0.282	4	109.3798	0.079	4	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	108.5590	0.000	1	108.5590	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	109.8670	0.000	1	109.8670	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|C<4>,3|H<1>,4|C<3>}	109.8720	0.226	2	109.8720	0.051	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	109.6810	0.000	1	109.6810	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){1|H<1>,6|C<3>}	110.0610	0.000	1	110.0610	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[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>}	110.0750	0.000	1	110.0750	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	109.7180	0.000	1	109.7180	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	109.8560	0.000	1	109.5025	0.153	6	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	109.2147	0.356	3	109.5025	0.153	6	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	109.7575	0.100	2	109.5025	0.153	6	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,2|C<3>,2|H<1>}	110.7360	0.000	1	110.1910	0.594	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){2|H<1>,3|C<3>}	109.6460	0.000	1	110.1910	0.594	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,1|O<2>,3|C<3>}	109.0330	0.000	1	109.0330	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<2>,3|C<3>}	109.0880	0.000	1	109.0880	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[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>}	109.9440	0.000	1	109.9440	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(O){1|C<4>,3|H<1>,4|C<3>}	109.8830	0.000	1	109.8830	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|N<3>,3|H<1>,4|C<3>}	109.7300	0.000	1	109.4843	0.049	3	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(O){1|O<2>,3|H<1>,4|C<3>}	109.3615	0.087	2	109.4843	0.049	3	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){1|N<3>,3|H<1>,4|C<3>}	109.5680	0.000	1	109.7730	0.084	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){3|H<1>,4|C<3>}	109.9780	0.000	1	109.7730	0.084	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(O){2|C<3>,3|H<1>}	110.0850	0.000	1	110.0850	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	111.0490	0.000	1	110.1540	0.206	13	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	110.3890	0.000	1	110.1540	0.206	13	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	109.3290	0.000	1	110.1540	0.206	13	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	109.9140	0.000	1	110.1540	0.206	13	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	110.3035	0.413	4	110.1540	0.206	13	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	109.9375	0.050	2	110.1540	0.206	13	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	109.9935	0.356	2	110.1540	0.206	13	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	110.2450	0.000	1	110.1540	0.206	13	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	109.5318	0.472	5	109.5948	0.140	11	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	109.6473	0.307	6	109.5948	0.140	11	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O){2|C<3>,3|H<1>}	109.7415	0.026	2	109.7415	0.001	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	109.5120	0.496	2	109.5930	0.143	3	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	109.7550	0.000	1	109.5930	0.143	3	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,3|H<1>}	110.1750	0.185	3	110.1365	0.029	4	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(O){2|C<3>,3|H<1>}	110.0210	0.000	1	110.1365	0.029	4	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.7220	0.000	1	109.9375	0.093	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(O){4|C<3>,4|H<1>}	110.1530	0.000	1	109.9375	0.093	2	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	109.9290	0.000	1	109.7531	0.143	8	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	109.8090	0.017	2	109.7531	0.143	8	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	109.7305	0.518	2	109.7531	0.143	8	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	109.6860	0.819	2	109.7531	0.143	8	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	109.6450	0.000	1	109.7531	0.143	8	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O){2|C<3>,3|H<1>}	109.9350	0.588	2	109.8810	0.182	3	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|S<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(O){2|C<3>,3|H<1>}	109.7730	0.000	1	109.8810	0.182	3	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O){2|C<3>,3|H<1>}	109.7907	0.487	3	109.7907	0.237	3	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){3|H<1>,4|C<3>}	110.6690	0.000	1	110.6690	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(O){3|H<1>,4|C<3>}	109.6050	0.000	1	109.6050	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[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>}	110.3480	0.000	1	110.3480	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,2|H<1>}	110.0680	0.000	1	110.0680	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	108.9820	0.000	1	108.9820	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.7910	0.000	1	109.7910	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|S<2>,2|C<3>,2|H<1>}	109.5270	0.000	1	109.5270	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,4|H<1>}	C[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>}	108.6380	0.000	1	108.6380	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	108.6190	0.000	1	108.6190	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	109.0440	0.000	1	109.0440	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	109.6870	0.000	1	110.0300	0.413	6	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	110.0986	0.693	5	110.0300	0.413	6	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,3|H<1>}	109.9750	0.000	1	109.9750	0.000	1	109.6901	0.337	102	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S){1|O<2>,2|C<3>,2|H<1>}	110.4540	0.000	1	110.4540	0.000	1	110.5570	0.021	3	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|S<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(S){1|O<2>,2|C<3>,2|H<1>}	110.6085	0.161	2	110.6085	0.026	2	110.5570	0.021	3	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:N[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	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>}	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	110.4390	0.000	1	110.2340	0.064	6	110.2340	0.064	6	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	110.1930	0.260	5	110.2340	0.064	6	110.2340	0.064	6	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]CO)	C[5](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[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]CO){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(O){1|H<1>,1|O<1>,3|C<3>}	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(O)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]O){1|N<2>,1|S<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[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>}	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO){1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(O){1|O<2>,4|C<3>}	108.3925	0.129	2	108.3925	0.017	2	108.7348	0.606	6	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CO)(O){2|O<2>,3|C<3>}	107.5320	0.000	1	107.5320	0.000	1	108.7348	0.606	6	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	109.3685	0.380	2	109.3685	0.144	2	108.7348	0.606	6	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,3|H<1>}	C[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>}	109.3550	0.000	1	109.3550	0.000	1	108.7348	0.606	6	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	109.7061	0.464	125	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[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>}	110.1070	0.000	1	110.1070	0.000	1	110.1640	0.006	2	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[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>}	110.2210	0.000	1	110.2210	0.000	1	110.1640	0.006	2	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	C[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>}	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC){1|O<2>,2|C<3>,2|H<1>}	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	108.9630	0.000	1	108.9630	0.000	1	109.4873	0.282	8	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO){1|C<4>,2|C<3>,2|H<1>}	109.4560	0.000	1	109.4560	0.000	1	109.4873	0.282	8	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS){1|C<4>,2|C<3>,2|H<1>}	110.0690	0.000	1	110.0690	0.000	1	109.4873	0.282	8	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN){2|C<3>,3|H<1>}	109.5920	0.000	1	109.5920	0.000	1	109.4873	0.282	8	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	109.7950	0.000	1	109.7950	0.000	1	109.4873	0.282	8	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	109.7855	0.060	2	109.7855	0.004	2	109.4873	0.282	8	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO){2|C<3>,3|H<1>}	108.4520	0.000	1	108.4520	0.000	1	109.4873	0.282	8	109.7403	0.379	12	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[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>}	108.5750	0.000	1	108.5750	0.000	1	109.0520	0.135	4	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[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>}	109.2920	0.000	1	109.2110	0.050	3	109.0520	0.135	4	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,2|C<3>,3|H<1>}	C[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>}	109.3830	0.000	1	109.2110	0.050	3	109.0520	0.135	4	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[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>}	108.9580	0.000	1	109.2110	0.050	3	109.0520	0.135	4	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[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>}	109.3240	0.000	1	109.3240	0.000	1	108.4600	0.690	3	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[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>}	108.3890	0.000	1	108.0280	0.261	2	108.4600	0.690	3	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[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>}	107.6670	0.000	1	108.0280	0.261	2	108.4600	0.690	3	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	C[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>}	109.4260	0.000	1	109.4260	0.000	1	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	C[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>}	111.1680	0.000	1	111.1680	0.000	1	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	C[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>}	110.3300	0.000	1	110.3300	0.000	1	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){2|C<3>,3|H<1>}	109.8160	0.000	1	109.8160	0.000	1	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C){2|C<3>,3|H<1>}	109.4740	0.000	1	109.4740	0.000	1	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	110.5230	0.000	1	110.5165	0.000	2	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	110.5100	0.000	1	110.5165	0.000	2	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<2>,2|C<3>,2|H<1>}	C[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>}	110.9270	0.000	1	110.9270	0.000	1	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH){1|O<2>,2|C<3>,2|H<1>}	110.5555	1.883	2	110.5555	3.546	2	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[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>}	110.0060	0.000	1	110.0060	0.000	1	110.2992	0.668	11	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[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>}	108.4500	0.000	1	108.4500	0.000	1	109.5347	0.528	10	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[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>}	108.1340	0.000	1	108.1340	0.000	1	109.5347	0.528	10	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[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>}	110.1847	0.210	3	110.1847	0.044	3	109.5347	0.528	10	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[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>}	109.9170	0.000	1	109.6418	0.051	5	109.5347	0.528	10	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[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>}	109.5730	0.189	4	109.6418	0.051	5	109.5347	0.528	10	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NAlNi){2|C<3>,3|H<1>}	108.3980	0.000	1	108.3980	0.000	1	109.7507	1.422	12	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NAlNi){2|C<3>,3|H<1>}	107.6770	0.000	1	107.6770	0.000	1	109.7507	1.422	12	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NNiSi){2|C<3>,3|H<1>}	108.7400	0.000	1	108.7400	0.000	1	109.7507	1.422	12	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[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>}	109.7680	0.000	1	109.6073	0.054	3	109.7507	1.422	12	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[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>}	109.5270	0.263	2	109.6073	0.054	3	109.7507	1.422	12	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[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>}	111.5230	0.454	2	110.7014	0.946	5	109.7507	1.422	12	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<3>,3|H<1>}	C[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>}	110.1537	0.815	3	110.7014	0.946	5	109.7507	1.422	12	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[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>}	109.8650	0.000	1	109.8650	0.000	1	109.7507	1.422	12	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Pt)(C[5]C[5]P){2|C<3>,3|H<1>}	107.3290	0.000	1	107.3290	0.000	1	107.7310	0.135	3	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Ru)(C[5]C[5]N){2|C<3>,3|H<1>}	107.9320	0.165	2	107.9320	0.027	2	107.7310	0.135	3	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[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>}	108.9280	0.273	2	108.9280	0.074	2	108.9280	0.074	2	109.5174	1.161	45	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	6:3:3:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<6>,2|C<3>,2|H<1>}	C[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>}	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	107.7385	1.221	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:4:	6:3:3:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,3|H<1>}	C[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>}	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	107.7385	1.221	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:3:5:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:I[5]-5:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O3)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O3){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,2|C<3>,3|O<2>}	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a])	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[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	107.1970	0.996	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	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[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>}	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>}	106.7450	0.505	2	106.7450	0.255	2	106.7450	0.255	2	107.1970	0.996	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:2:	3:2:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){2|C<3>,2|O<1>}	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>}	106.5930	0.000	1	106.5930	0.000	1	106.7950	0.082	2	107.1970	0.996	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:2:	3:2:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a])	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a]){2|C<3>,2|O<1>}	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>}	106.9970	0.000	1	106.9970	0.000	1	106.7950	0.082	2	107.1970	0.996	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:C[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a])	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a]){1|O<1>,8|C<3>}	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>}	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,4|H<1>}	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>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O){2|C<4>,3|C<3>}	109.3530	0.054	2	109.3530	0.003	2	109.3530	0.003	2	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	108.4030	0.000	1	108.5680	0.036	3	108.5680	0.036	3	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	108.6505	0.176	2	108.5680	0.036	3	108.5680	0.036	3	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	108.6460	0.000	1	108.6460	0.000	1	108.4576	0.325	7	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[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>}	108.4270	0.267	2	108.2682	0.290	5	108.4576	0.325	7	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	108.2270	0.000	1	108.2682	0.290	5	108.4576	0.325	7	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	108.8370	0.000	1	108.2682	0.290	5	108.4576	0.325	7	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,1|O<2>,3|C<3>}	107.4230	0.000	1	108.2682	0.290	5	108.4576	0.325	7	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]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]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	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>}	109.2160	0.000	1	109.2160	0.000	1	108.4576	0.325	7	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	108.6465	0.059	2	108.6465	0.003	2	108.1454	0.549	5	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]N)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]N){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	108.2680	0.324	2	108.2680	0.105	2	108.1454	0.549	5	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-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]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|O<2>,3|C<3>}	106.8980	0.000	1	106.8980	0.000	1	108.1454	0.549	5	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){2|Cl<1>,1|H<1>,2|C<3>}	105.0280	0.000	1	105.0745	0.004	2	105.0745	0.004	2	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){2|Cl<1>,1|H<1>,2|C<3>}	105.1210	0.000	1	105.0745	0.004	2	105.0745	0.004	2	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|H<1>,1|S<2>,3|C<3>}	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|H<1>,3|C<3>}	108.4170	0.000	1	108.4170	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]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]C)(C[5]O[5]O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	107.8060	0.000	1	107.8060	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	108.2420	0.000	1	108.2420	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	108.4010	0.000	1	108.4010	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	108.7470	0.000	1	108.7470	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	108.5670	0.000	1	108.2303	0.148	3	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	108.0620	0.355	2	108.2303	0.148	3	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	108.6990	0.000	1	108.6990	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,4|C<3>}	108.4855	0.451	6	108.4855	0.204	6	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	108.6915	0.286	2	108.6915	0.082	2	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]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]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,4|C<3>}	108.6120	0.000	1	108.6120	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	108.0330	0.000	1	108.3660	0.060	9	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	108.4076	0.226	8	108.3660	0.060	9	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<3>,3|C<3>}	108.4630	0.000	1	108.4630	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>}	108.5340	0.000	1	108.5340	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	108.5725	0.071	2	108.5725	0.005	2	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	108.6660	0.000	1	108.6660	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	108.5823	0.188	4	108.5823	0.035	4	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	108.0090	0.000	1	108.0090	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,2|C<3>,2|H<1>}	108.3410	0.000	1	108.3410	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>}	108.6610	0.000	1	108.6610	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]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]N[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[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>}	108.8870	0.000	1	108.8870	0.000	1	108.4560	0.091	40	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(S){1|H<1>,4|C<3>}	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F)	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[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]F){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O){1|H<1>,2|C<3>,2|C<4>}	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	108.5487	1.708	62	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC){1|C<4>,1|H<1>,3|C<3>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NPdC){1|H<1>,4|C<3>}	107.1517	0.226	6	107.1517	0.051	6	107.1517	0.051	6	107.1517	0.051	6	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3){1|H<1>,4|C<3>}	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	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>}	106.8680	0.000	1	106.8680	0.000	1	106.8680	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[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>}	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	108.8640	0.000	1	108.8640	0.000	1	109.5142	0.127	26	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	109.5067	0.260	7	109.5067	0.067	7	109.5142	0.127	26	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]O)(H){1|H<1>,4|C<3>}	109.8160	0.000	1	109.8160	0.000	1	109.5142	0.127	26	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	109.6655	0.351	11	109.6655	0.123	11	109.5142	0.127	26	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(H){1|H<1>,6|C<3>}	109.5553	0.145	3	109.5553	0.021	3	109.5142	0.127	26	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	108.8460	0.000	1	108.8460	0.000	1	109.5142	0.127	26	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	109.0600	0.000	1	109.0600	0.000	1	109.5142	0.127	26	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[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>}	109.2500	0.000	1	109.2500	0.000	1	109.5142	0.127	26	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[4,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[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>}	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|H<1>,4|C<3>}	C[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>}	108.0250	0.000	1	108.1750	0.045	2	108.1750	0.045	2	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[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>}	108.3250	0.000	1	108.1750	0.045	2	108.1750	0.045	2	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|I<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I){1|H<1>,6|C<3>}	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[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>}	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[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>}	108.5690	0.000	1	108.6070	0.003	2	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[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>}	108.6450	0.000	1	108.6070	0.003	2	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[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>}	109.1420	0.000	1	108.9670	0.061	2	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[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>}	108.7920	0.000	1	108.9670	0.061	2	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[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>}	108.5770	0.000	1	108.5770	0.000	1	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[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>}	109.6210	0.000	1	109.6210	0.000	1	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[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>}	108.6410	0.000	1	108.6410	0.000	1	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	C[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>}	108.7000	0.000	1	109.2262	0.371	4	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	C[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>}	109.4017	0.610	3	109.2262	0.371	4	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[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>}	107.9680	0.000	1	107.9680	0.000	1	108.9050	0.304	12	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-4:C[5,6a]-3:	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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	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>}	108.1760	3.171	4	108.1760	10.054	4	108.1760	10.054	4	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(H){1|H<1>,4|C<3>}	108.7040	0.827	4	108.7040	0.684	4	108.7040	0.684	4	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I){1|H<1>,6|C<3>}	107.9965	0.008	2	107.9965	0.000	2	107.9965	0.000	2	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[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>}	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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[5,6]-4:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[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>}	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	C[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>}	107.0510	0.000	1	107.0510	0.000	1	106.7195	0.220	2	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br){2|H<1>,3|C<3>}	106.3880	0.000	1	106.3880	0.000	1	106.7195	0.220	2	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	108.0930	0.000	1	108.0930	0.000	1	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	107.6820	0.000	1	107.6820	0.000	1	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[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>}	108.0340	0.000	1	108.0340	0.000	1	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]CrH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]CrH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Cr<4>,2|C<3>,2|H<1>}	107.5900	0.000	1	107.5900	0.000	1	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]IrP)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]IrP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[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>}	108.9100	0.000	1	108.9100	0.000	1	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Pd<4>,2|C<3>,2|H<1>}	107.2440	0.000	1	107.4940	0.125	2	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Pd<7>,2|C<3>,2|H<1>}	107.7440	0.000	1	107.4940	0.125	2	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RhP)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RhP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[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>}	108.9920	0.000	2	108.9920	0.000	2	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[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>}	108.8575	0.166	4	108.8575	0.027	4	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	108.1425	0.162	4	108.1425	0.026	4	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	110.7960	0.000	1	110.7960	0.000	1	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	108.2720	0.000	1	108.2720	0.000	1	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	108.3313	0.248	3	108.3313	0.062	3	108.4247	0.537	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:I-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){2|H<1>,5|C<3>}	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]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[5,6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,4|C<3>}	110.6870	0.000	1	110.6870	0.000	1	109.9712	0.092	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,2|H<1>,4|C<3>}	109.9748	0.231	13	109.9594	0.053	14	109.9712	0.092	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){2|C<4>,2|H<1>,3|C<3>}	109.7600	0.000	1	109.9594	0.053	14	109.9712	0.092	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	109.5910	0.000	1	109.9027	0.135	6	109.9712	0.092	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	109.9650	0.374	5	109.9027	0.135	6	109.9712	0.092	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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]-3:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.8310	0.000	1	109.8310	0.000	1	109.9712	0.092	22	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]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[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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[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>}	108.5430	0.000	1	108.5430	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]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]C[6,6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	108.5330	0.000	1	108.5330	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]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){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|N<2>,1|O<1>,3|C<4>}	C[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>}	108.4560	0.000	1	108.6203	0.022	3	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]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){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|O<1>,2|C<3>,3|C<4>}	C[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>}	108.7025	0.064	2	108.6203	0.022	3	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]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){2|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<2>,3|C<3>}	108.0160	0.000	1	108.0160	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]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>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	108.8560	0.000	1	108.8560	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]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<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<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>}	108.9270	0.000	1	108.9270	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]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>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	109.2570	0.000	1	109.2570	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[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]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,4|C<3>}	108.9250	0.000	1	108.9250	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]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>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	110.1190	0.000	1	110.1190	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[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]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	108.3630	0.000	1	108.3630	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[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[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	109.1140	0.000	1	109.1560	0.004	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[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[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	109.1980	0.000	1	109.1560	0.004	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]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){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	109.4773	0.283	3	109.4773	0.080	3	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]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>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	109.6590	0.000	1	109.6590	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	109.6160	0.000	1	109.6160	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]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<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	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>}	108.2345	0.057	2	108.2345	0.003	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]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>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	109.0280	0.000	1	109.0153	0.028	3	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]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){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	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>}	109.0090	0.238	2	109.0153	0.028	3	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[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]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	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>}	108.4830	0.000	1	108.3595	0.031	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[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]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	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>}	108.2360	0.000	1	108.3595	0.031	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]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>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|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|H<1>,3|C<3>}	109.2130	0.000	1	109.1413	0.013	3	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]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>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	109.1055	0.135	2	109.1413	0.013	3	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	110.0360	0.000	1	109.9050	0.056	8	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	109.5600	0.000	1	109.9050	0.056	8	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	110.2800	0.000	1	109.9050	0.056	8	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	109.8728	0.166	5	109.9050	0.056	8	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[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[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	109.4815	0.247	4	109.4815	0.061	4	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<2>,3|C<3>}	110.0450	0.000	1	110.0450	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]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|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	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>}	108.6382	0.086	4	108.6382	0.007	4	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[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]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	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>}	108.4588	0.236	6	108.4588	0.056	6	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[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[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[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>}	109.1600	0.000	1	109.1310	0.002	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[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[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.1020	0.000	1	109.1310	0.002	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[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[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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[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>}	108.4760	0.112	2	108.4760	0.012	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	108.1200	0.287	2	108.1200	0.082	2	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[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>}	108.7480	0.000	1	108.7480	0.000	1	109.0135	0.371	59	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl){1|H<1>,6|C<3>}	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	C[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>}	113.3475	0.141	2	113.3475	0.020	2	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]C[6]O)(C[6a]C[6,6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]C[6]O)(C[6a]C[6,6a]H){2|C<4>,3|C<3>,3|H<1>}	C[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>}	111.7020	0.000	1	111.7020	0.000	1	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[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>}	113.2310	0.000	1	113.2310	0.000	1	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mn2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mn2)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(H){2|Mn<6>,1|H<1>,2|C<3>}	113.2410	0.000	1	113.2410	0.000	1	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,6|C<3>}	113.9425	0.230	2	113.9425	0.053	2	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]C)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	113.7645	0.259	4	113.7645	0.067	4	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]Mn)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]Mn)(C[6a]C[6a]H){1|Mn<6>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]Mn)(H){1|Mn<6>,1|H<1>,3|C<3>}	114.0380	0.000	1	114.0380	0.000	1	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	113.6460	0.000	1	113.6460	0.000	1	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	113.4090	0.192	2	113.4490	0.015	5	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	113.4757	0.090	3	113.4490	0.015	5	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]N)(H){1|H<1>,1|W<6>,3|C<3>}	114.5400	0.000	1	114.5400	0.000	1	113.5411	0.322	19	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O){1|H<1>,1|O<1>,3|C<3>}	114.1620	0.000	1	114.1620	0.000	1	114.1515	0.000	2	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]Pd)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]Pd)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	114.1410	0.000	1	114.1410	0.000	1	114.1515	0.000	2	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[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>}	114.8623	0.146	3	114.8623	0.021	3	114.7552	0.035	5	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	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:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H){1|H<1>,4|C<3>}	114.5945	0.098	2	114.5945	0.010	2	114.7552	0.035	5	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<2>,4|C<3>}	108.2390	0.129	2	108.2390	0.017	2	108.2390	0.017	2	109.6987	3.579	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	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[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[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>}	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	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]-3:C-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN){1|N<3>,2|C<3>,2|H<1>}	107.2810	0.000	1	107.2810	0.000	1	108.0355	0.498	4	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	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]-3:C-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC){1|C<4>,1|H<1>,3|C<3>}	108.8850	0.000	1	108.8850	0.000	1	108.0355	0.498	4	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	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]-3:C-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[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>}	107.6730	0.000	1	107.6730	0.000	1	108.0355	0.498	4	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	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]-3:C-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC){2|H<1>,3|C<3>}	108.3030	0.000	1	108.3030	0.000	1	108.0355	0.498	4	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	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]-3:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB){1|H<1>,4|C<3>}	106.9385	0.241	2	106.9385	0.058	2	107.0997	0.107	3	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	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]-3:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH){1|H<1>,4|C<3>}	107.4220	0.000	1	107.4220	0.000	1	107.0997	0.107	3	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]IrN)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]IrN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[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>}	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[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>}	113.4340	0.195	2	113.4340	0.038	2	113.4340	0.038	2	108.7555	5.696	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[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>}	108.2945	0.190	2	108.3093	0.019	3	108.2463	0.028	4	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[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>}	108.3390	0.000	1	108.3093	0.019	3	108.2463	0.028	4	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	108.0570	0.000	1	108.0570	0.000	1	108.2463	0.028	4	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[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>}	109.2340	0.000	1	109.2340	0.000	1	109.1070	0.017	3	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[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>}	109.1120	0.000	1	109.0435	0.009	2	109.1070	0.017	3	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[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>}	108.9750	0.000	1	109.0435	0.009	2	109.1070	0.017	3	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[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>}	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[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>}	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[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>}	108.9190	0.000	1	108.9190	0.000	1	108.6355	0.298	4	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	108.0180	0.000	1	108.0180	0.000	1	108.6355	0.298	4	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[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>}	109.2370	0.000	1	109.2370	0.000	1	108.6355	0.298	4	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	108.3680	0.000	1	108.3680	0.000	1	108.6355	0.298	4	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	C[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>}	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[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>}	109.1315	0.288	2	109.1315	0.083	2	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[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>}	108.5730	0.000	1	108.5730	0.000	1	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	108.9490	0.000	1	108.9490	0.000	1	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	108.5900	0.000	1	108.5900	0.000	1	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[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>}	109.0020	0.000	1	109.0020	0.000	1	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[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>}	108.5030	0.000	1	108.5030	0.000	1	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	C[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>}	109.6555	0.405	2	109.5907	0.095	3	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	C[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>}	109.4610	0.000	1	109.5907	0.095	3	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	109.2120	0.000	1	108.7700	0.391	2	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	108.3280	0.000	1	108.7700	0.391	2	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[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>}	108.4250	0.000	1	108.4250	0.000	1	108.9705	0.231	13	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	114.0920	0.000	1	114.0920	0.000	1	114.0920	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]2)	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[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>}	114.3170	0.000	1	114.3170	0.000	1	113.6303	0.764	8	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	114.0470	0.000	1	113.6624	0.867	5	113.6303	0.764	8	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	C[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>}	113.9200	0.000	1	113.6624	0.867	5	113.6303	0.764	8	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	114.3800	0.000	1	113.6624	0.867	5	113.6303	0.764	8	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	113.9350	0.000	1	113.6624	0.867	5	113.6303	0.764	8	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	112.0300	0.000	1	113.6624	0.867	5	113.6303	0.764	8	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	113.2065	1.023	2	113.2065	1.047	2	113.6303	0.764	8	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	113.4570	0.076	2	113.4570	0.006	2	113.5147	0.013	3	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	113.6300	0.000	1	113.6300	0.000	1	113.5147	0.013	3	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	113.0760	0.000	1	113.3395	0.139	2	113.3343	0.070	3	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[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>}	113.6030	0.000	1	113.3395	0.139	2	113.3343	0.070	3	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	C[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>}	113.3240	0.000	1	113.3240	0.000	1	113.3343	0.070	3	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	114.8450	0.000	1	114.8450	0.000	1	115.1200	0.146	5	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	115.1887	0.404	4	115.1887	0.164	4	115.1200	0.146	5	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO){1|H<1>,4|C<3>}	109.1790	0.000	1	109.1790	0.000	1	109.2190	0.003	2	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O){1|H<1>,4|C<3>}	109.2590	0.000	1	109.2590	0.000	1	109.2190	0.003	2	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[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>}	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|H<1>,3|C<3>}	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[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>}	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH){1|H<1>,1|O<1>,3|C<3>}	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4: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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[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>}	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C){1|H<1>,1|S<2>,5|C<3>}	C[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>}	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	110.7452	7.051	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	C[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>}	109.6420	0.010	2	109.6420	0.000	2	109.6420	0.000	2	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN){1|H<1>,4|C<3>}	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[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>}	108.9400	0.000	1	108.9400	0.000	1	108.3317	1.358	3	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[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>}	109.0670	0.000	1	109.0670	0.000	1	108.3317	1.358	3	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[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>}	106.9880	0.000	1	106.9880	0.000	1	108.3317	1.358	3	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3){1|H<1>,6|C<3>}	108.8590	0.000	1	108.8590	0.000	1	108.8350	0.001	2	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[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>}	108.8110	0.000	1	108.8110	0.000	1	108.8350	0.001	2	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	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]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]AlSi)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]AlSi)(C[6a]C[6a]C){1|C<3>,4|C<4>}	C[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>}	107.5680	0.057	2	107.5680	0.003	2	107.8754	0.202	8	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	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]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C){1|C<3>,4|C<4>}	C[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>}	107.6380	0.266	3	107.6380	0.071	3	107.8754	0.202	8	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	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]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	107.9590	0.000	1	107.9590	0.000	1	107.8754	0.202	8	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	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]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]2Ru)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]2Ru)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,3|C<4>,3|H<1>}	C[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>}	108.7510	0.000	1	108.7510	0.000	1	107.8754	0.202	8	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	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]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH){1|P<4>,2|C<3>,2|H<1>}	108.2430	0.000	1	108.2430	0.000	1	107.8754	0.202	8	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	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]-3:P-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){1|Si<3>,2|C<3>,2|H<1>}	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	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]-3:Si-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[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>}	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]F){1|B<4>,1|P<3>,2|F<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F){1|F<1>,4|C<3>}	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[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>}	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	109.1176	4.637	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	111.3850	0.000	1	111.4300	0.004	2	111.4300	0.004	2	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[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>}	111.4750	0.000	1	111.4300	0.004	2	111.4300	0.004	2	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	109.5860	0.000	1	109.5860	0.000	1	110.0320	0.398	2	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[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>}	110.4780	0.000	1	110.4780	0.000	1	110.0320	0.398	2	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[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>}	109.9300	0.000	1	109.5645	0.267	2	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.1990	0.000	1	109.5645	0.267	2	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[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>}	109.0530	0.000	1	109.0530	0.000	1	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[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>}	110.3520	0.000	1	110.3520	0.000	1	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[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>}	109.8197	0.757	3	109.3843	0.207	18	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	109.2906	0.360	14	109.3843	0.207	18	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	109.3910	0.000	1	109.3843	0.207	18	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.8430	0.000	2	109.8430	0.000	2	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[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>}	110.2360	0.000	1	109.4840	0.487	3	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[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>}	109.1080	0.355	2	109.4840	0.487	3	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(O){4|C<3>,5|H<1>}	109.5540	0.000	1	109.5540	0.000	1	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[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>}	110.4950	0.115	2	110.4950	0.013	2	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	109.8250	0.000	1	109.9987	0.122	3	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	110.4010	0.000	1	109.9987	0.122	3	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.7700	0.000	1	109.9987	0.122	3	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[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>}	110.0540	0.000	1	110.0540	0.000	1	109.5936	0.278	34	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]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]C){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>}	C[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>}	109.3480	0.000	1	109.3480	0.000	1	109.8377	0.180	3	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[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>}	110.0825	0.022	2	110.0825	0.000	2	109.8377	0.180	3	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[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>}	109.5650	0.723	2	109.5650	0.522	2	109.5650	0.522	2	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl){4|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[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>}	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[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>}	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]ZrC)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]ZrC)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ZrH)(H){1|C<5>,1|H<1>,2|C<3>}	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	108.5400	0.000	1	108.5400	0.000	1	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(O){1|Br<1>,2|C<3>,2|H<1>}	109.9000	0.000	1	109.9000	0.000	1	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(O){1|C<4>,1|H<1>,3|C<3>}	109.4460	0.371	2	109.4460	0.137	2	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	109.7610	0.041	2	109.7610	0.002	2	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	110.0080	0.207	3	110.0080	0.043	3	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(O){2|C<4>,3|C<3>,3|H<1>}	110.0665	0.221	2	110.0665	0.049	2	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CF)(O){2|H<1>,3|C<3>}	109.9110	0.000	1	109.9110	0.000	1	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(O){2|H<1>,3|C<3>}	110.4880	0.000	1	110.4880	0.000	1	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	109.4355	0.496	2	109.6822	0.235	4	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	110.2580	0.000	1	109.6822	0.235	4	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|H<1>,3|C<3>}	109.6000	0.000	1	109.6822	0.235	4	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){2|H<1>,5|C<3>}	110.2080	0.000	1	109.9600	0.123	2	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(O){2|H<1>,5|C<3>}	109.7120	0.000	1	109.9600	0.123	2	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:1:	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]-4:O-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	110.0900	0.000	1	110.0900	0.000	1	109.8074	0.205	20	109.7385	0.341	66	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[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>}	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[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>}	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[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>}	109.6425	0.151	2	109.6425	0.023	2	110.0823	0.592	3	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[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>}	110.9620	0.000	1	110.9620	0.000	1	110.0823	0.592	3	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[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>}	110.9255	0.237	2	110.9255	0.056	2	110.9255	0.056	2	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[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>}	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,5,6]-4:C[5,6a]-3:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5]){3|C<4>,4|C<3>,4|H<1>}	C[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>}	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdC)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[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>}	108.4327	0.882	4	108.4327	0.778	4	108.8560	1.479	5	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[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>}	110.5490	0.000	1	110.5490	0.000	1	108.8560	1.479	5	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[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>}	114.3690	0.000	1	114.3690	0.000	1	114.3690	0.000	1	109.8937	2.696	15	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O){3|H<1>,5|C<3>}	109.4520	0.000	1	109.4520	0.000	1	109.5740	0.030	2	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5,5]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6a]C[5,6a]2)(O){2|C<3>,2|H<1>,4|C<4>}	109.6960	0.000	1	109.6960	0.000	1	109.5740	0.030	2	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.4595	0.684	2	109.4595	0.468	2	109.4595	0.468	2	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	109.7415	0.443	4	109.7415	0.196	4	109.7415	0.196	4	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[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>}	109.4660	0.000	1	109.4660	0.000	1	109.7733	0.110	8	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[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>}	109.8171	0.333	7	109.8171	0.111	7	109.7733	0.110	8	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	108.9390	0.000	1	108.9390	0.000	1	109.1490	0.088	2	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	109.3590	0.000	1	109.3590	0.000	1	109.1490	0.088	2	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[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>}	109.7060	0.112	2	109.7060	0.012	2	109.7060	0.012	2	109.6465	0.142	20	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[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>}	111.1170	0.287	2	111.1170	0.082	2	111.1170	0.082	2	111.1170	0.082	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	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>}	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	108.7795	0.128	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	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>}	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	108.7795	0.128	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:2:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	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[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|F<1>,1|O<1>,2|C<4>,2|H<1>}	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>}	110.6840	0.086	2	110.6840	0.007	2	110.6840	0.007	2	110.6840	0.007	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O){1|C<4>,1|H<1>,3|C<3>}	108.3860	0.000	1	108.3860	0.000	1	108.3850	0.000	2	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O){1|C<4>,1|H<1>,3|C<3>}	108.3840	0.000	1	108.3840	0.000	1	108.3850	0.000	2	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(H){1|C<4>,1|H<1>,3|C<3>}	105.6810	0.000	1	105.6810	0.000	1	105.6810	0.000	1	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,4|C<3>}	108.9970	0.000	1	108.9970	0.000	1	108.6707	0.095	3	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[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>}	108.3860	0.000	1	108.5075	0.030	2	108.6707	0.095	3	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,1|N<3>,3|C<3>}	108.6290	0.000	1	108.5075	0.030	2	108.6707	0.095	3	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]Cl)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|Cl<1>,4|C<3>}	108.4060	0.000	1	108.4060	0.000	1	108.5107	0.229	47	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	108.7020	0.000	1	108.5353	0.231	43	108.5107	0.229	47	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	108.2640	0.000	1	108.5353	0.231	43	108.5107	0.229	47	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	108.6000	0.000	1	108.5353	0.231	43	108.5107	0.229	47	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	108.5363	0.497	40	108.5353	0.231	43	108.5107	0.229	47	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	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[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	107.7280	0.000	1	107.7280	0.000	1	108.5107	0.229	47	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]O[5]O)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	108.7090	0.000	1	108.7090	0.000	1	108.5107	0.229	47	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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]N)(C[5]O[5]O){2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|N<3>,4|C<3>}	108.1450	0.000	1	108.1450	0.000	1	108.5107	0.229	47	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(O){1|H<1>,4|C<3>}	115.2495	0.962	2	115.2495	0.926	2	115.2495	0.926	2	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(S){1|H<1>,4|C<3>}	115.3130	0.000	1	115.3130	0.000	1	115.3130	0.000	1	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O){1|H<1>,4|C<3>}	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	108.9791	4.031	57	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN){1|H<1>,4|C<3>}	114.1913	0.079	3	114.1913	0.006	3	114.1913	0.006	3	114.1913	0.006	3	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[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>}	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[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>}	110.9230	0.000	1	110.9230	0.000	1	110.9230	0.112	6	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[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>}	110.9230	0.374	5	110.9230	0.140	5	110.9230	0.112	6	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[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>}	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[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>}	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x3,3x5,12x6]N[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[3x3,3x5,12x6]N[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	C[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>}	109.5040	0.000	1	109.5040	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[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>}	108.5550	0.000	1	108.5550	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.7050	0.109	3	109.4243	0.172	10	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	109.1110	0.494	3	109.4243	0.172	10	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	109.1145	0.057	2	109.4243	0.172	10	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	C[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>}	109.7830	0.231	2	109.4243	0.172	10	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])	C[5](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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[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>}	110.0130	0.000	1	110.0130	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[5](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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[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>}	109.7170	0.434	2	109.7077	0.095	3	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[5](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[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[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>}	109.6890	0.000	1	109.7077	0.095	3	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.3860	0.000	1	109.2460	0.039	2	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	109.1060	0.000	1	109.2460	0.039	2	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[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>}	108.3707	0.279	3	108.6650	0.293	6	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[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>}	108.2340	0.000	1	108.6650	0.293	6	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.3320	0.000	1	108.6650	0.293	6	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[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>}	109.3120	0.000	1	108.6650	0.293	6	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[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>}	108.4620	0.000	1	108.4620	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[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>}	109.3560	0.000	1	109.3560	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[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>}	109.5020	0.000	1	109.5020	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[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>}	108.6140	0.000	1	108.6140	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[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>}	109.6130	0.000	1	109.6130	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[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>}	109.9740	0.000	1	109.9740	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	108.8860	0.000	1	108.8860	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	108.7900	0.000	1	108.7900	0.000	1	109.2224	0.304	32	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[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>}	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[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>}	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[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>}	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[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>}	108.8490	0.000	1	108.6820	0.023	3	108.6820	0.023	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	108.5985	0.067	2	108.6820	0.023	3	108.6820	0.023	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	C[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>}	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[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>}	107.7490	0.000	1	107.8970	0.044	2	107.9887	0.047	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[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>}	108.0450	0.000	1	107.8970	0.044	2	107.9887	0.047	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	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>}	108.1720	0.000	1	108.1720	0.000	1	107.9887	0.047	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[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>}	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	C[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>}	108.3000	0.000	1	108.3000	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[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>}	109.6140	0.000	1	109.6810	0.130	4	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	109.7033	0.438	3	109.6810	0.130	4	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[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>}	108.5700	0.000	1	108.5907	0.001	3	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[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>}	108.6010	0.047	2	108.5907	0.001	3	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.8300	0.000	1	108.8300	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	108.6300	0.000	1	108.6300	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.8780	0.147	2	108.8780	0.022	2	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[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>}	108.8890	0.000	1	108.8890	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.2360	0.000	1	108.2360	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[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>}	109.1760	0.000	1	109.1760	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	108.7548	0.247	8	108.7548	0.061	8	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5](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[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[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>}	108.9050	0.000	1	108.9050	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	108.8970	0.000	1	108.8970	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[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>}	109.2240	0.000	2	108.9122	0.085	5	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[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>}	108.7870	0.000	1	108.9122	0.085	5	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	108.6190	0.000	1	108.9122	0.085	5	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	108.7070	0.000	1	108.9122	0.085	5	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	108.6810	0.000	1	108.6810	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[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>}	108.6020	0.000	1	108.6413	0.025	3	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[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>}	108.8170	0.000	1	108.6413	0.025	3	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	108.5050	0.000	1	108.6413	0.025	3	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[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>}	108.6290	0.000	1	108.6290	0.000	1	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.8710	0.000	1	109.4295	0.390	2	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[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>}	108.9880	0.000	1	109.4295	0.390	2	108.8867	0.176	37	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](P[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	113.7920	0.000	1	113.7920	0.000	1	113.9783	0.029	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](P[5,6]C[6,6a]C[5,6]S)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[5,6]C[6,6a]C[5,6]S)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	114.0170	0.000	1	114.0170	0.000	1	113.9783	0.029	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](P[5,6]C[6,6a]C[5,6]Se)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[5,6]C[6,6a]C[5,6]Se)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[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>}	114.1260	0.000	1	114.1260	0.000	1	113.9783	0.029	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(H){1|H<1>,4|C<3>}	108.0955	0.066	2	108.0955	0.004	2	108.1153	0.003	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[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>}	108.1550	0.000	1	108.1550	0.000	1	108.1153	0.003	3	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	109.2465	0.332	2	109.2465	0.110	2	109.2465	0.110	2	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[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>}	108.6530	0.000	1	108.6530	0.000	1	108.6541	0.164	11	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|H<1>,4|C<3>}	108.1715	0.342	2	108.3520	0.156	3	108.6541	0.164	11	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|H<1>,4|C<3>}	108.7130	0.000	1	108.3520	0.156	3	108.6541	0.164	11	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[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>}	109.5310	0.000	1	109.5310	0.000	1	108.6541	0.164	11	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[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>}	108.9530	0.000	1	108.9530	0.000	1	108.6541	0.164	11	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[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>}	108.4675	0.185	2	108.4675	0.034	2	108.6541	0.164	11	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[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>}	108.9250	0.000	1	108.9250	0.000	1	108.6541	0.164	11	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){2|O<2>,3|C<3>}	108.5710	0.020	2	108.5710	0.000	2	108.6541	0.164	11	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[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>}	108.3425	0.088	2	108.3425	0.008	2	108.3425	0.008	2	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[5](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[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[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>}	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	108.8719	0.411	21	108.8719	0.169	21	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[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>}	109.5295	0.301	4	109.5295	0.091	4	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[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>}	109.6162	0.322	5	109.3596	0.152	10	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,6|C<3>}	109.1030	0.273	5	109.3596	0.152	10	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	109.4264	0.557	27	109.3413	0.351	35	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	109.0539	0.659	8	109.3413	0.351	35	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	109.6610	0.000	1	109.6610	0.000	1	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[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>}	108.4575	0.442	2	108.4575	0.195	2	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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]N)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|N<3>,4|C<3>}	109.3502	0.534	4	109.3502	0.285	4	109.2071	0.304	77	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[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]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	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>}	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	Se[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](Se[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](Se[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[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>}	117.7947	0.663	4	117.7947	0.439	4	117.7947	0.439	4	109.3494	2.338	194	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	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[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	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>}	105.9790	0.000	2	105.9790	0.000	2	105.9790	0.000	2	106.1785	0.053	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	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[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5]){3|H<1>,7|C<3>}	C[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>}	106.3780	0.000	2	106.3780	0.000	2	106.3780	0.000	2	106.1785	0.053	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[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>}	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[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>}	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,6|C<3>}	C[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>}	109.1130	0.000	1	109.1130	0.000	1	109.1130	0.000	1	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[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>}	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[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>}	109.1350	0.000	1	109.1350	0.000	1	109.2447	0.451	6	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[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>}	109.1593	0.818	4	109.1593	0.670	4	109.2447	0.451	6	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	109.6960	0.000	1	109.6960	0.000	1	109.2447	0.451	6	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	108.8080	0.000	1	108.7198	0.050	4	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	108.6903	0.264	3	108.7198	0.050	4	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	C[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>}	108.6190	0.000	1	108.6190	0.000	1	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	108.6295	0.138	2	108.4868	0.035	4	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[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>}	108.3440	0.065	2	108.4868	0.035	4	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	C[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>}	109.1590	0.000	1	109.1590	0.000	1	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[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>}	108.3630	0.000	1	108.3630	0.000	1	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|S<4>,2|H<1>,4|C<3>}	C[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>}	108.9430	0.000	1	109.2147	0.147	3	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,3|H<1>,5|C<3>}	C[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>}	109.3505	0.428	2	109.2147	0.147	3	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[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>}	109.4810	0.000	1	109.4810	0.000	1	108.8061	0.164	15	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[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>}	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[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>}	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[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>}	108.7170	0.000	1	108.7170	0.000	1	108.8260	0.024	2	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[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>}	108.9350	0.000	1	108.9350	0.000	1	108.8260	0.024	2	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[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>}	109.0300	0.000	1	108.7353	0.552	3	108.5408	0.349	5	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	108.5880	0.987	2	108.7353	0.552	3	108.5408	0.349	5	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[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>}	108.2490	0.096	2	108.2490	0.009	2	108.5408	0.349	5	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C)	C[5](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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C){2|C<4>,3|H<1>,4|C<3>}	C[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>}	109.2695	0.697	2	109.2695	0.485	2	109.2695	0.485	2	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[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>}	108.3370	0.000	1	108.3370	0.000	1	108.8240	0.474	2	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[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>}	109.3110	0.000	1	109.3110	0.000	1	108.8240	0.474	2	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[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>}	109.0810	0.000	1	109.0810	0.000	1	108.7900	0.116	8	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[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>}	108.8920	0.000	1	109.0250	0.035	2	108.7900	0.116	8	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	C[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>}	109.1580	0.000	1	109.0250	0.035	2	108.7900	0.116	8	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[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>}	108.4145	0.057	2	108.4145	0.003	2	108.7900	0.116	8	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|H<1>,5|C<3>}	C[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>}	108.3430	0.000	1	108.3430	0.000	1	108.7900	0.116	8	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[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>}	109.0085	0.050	2	109.0085	0.003	2	108.7900	0.116	8	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	C[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>}	107.2360	0.000	1	107.2360	0.000	1	107.2360	0.000	1	108.8531	0.286	48	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[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>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.9111	0.472	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,2|H<1>,4|C<3>}	C[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>}	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.9111	0.472	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[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>}	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	108.9111	0.472	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5](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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	108.9111	0.472	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[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>}	107.3070	0.000	1	107.3070	0.000	1	108.2860	1.917	2	108.9111	0.472	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[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>}	109.2650	0.000	1	109.2650	0.000	1	108.2860	1.917	2	108.9111	0.472	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,4|H<1>,5|C<3>}	C[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>}	108.6605	0.059	2	108.6605	0.003	2	109.1726	0.255	5	108.9111	0.472	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	109.5140	0.268	3	109.5140	0.072	3	109.1726	0.255	5	108.9111	0.472	11	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	C[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>}	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[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>}	110.9900	0.000	1	110.9805	0.000	2	110.9805	0.000	2	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[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>}	110.9710	0.000	1	110.9805	0.000	2	110.9805	0.000	2	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[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>}	110.5107	0.199	15	110.4616	0.048	19	110.4926	0.065	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[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>}	110.2775	0.215	4	110.4616	0.048	19	110.4926	0.065	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	111.0800	0.000	1	111.0800	0.000	1	110.4926	0.065	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	110.4707	0.184	3	110.4707	0.034	3	110.4707	0.034	3	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,4|H<1>}	C[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>}	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[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>}	110.7617	0.727	3	110.7617	0.528	3	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5](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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	109.3950	0.000	1	109.3950	0.000	1	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[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>}	109.7820	0.000	1	109.7820	0.000	1	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[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>}	110.5420	0.000	1	110.5420	0.000	1	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	109.7840	0.000	1	109.7840	0.000	1	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[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>}	110.1270	0.088	2	110.1270	0.008	2	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	110.1343	0.260	3	110.2322	0.057	5	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	110.3790	0.140	2	110.2322	0.057	5	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[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>}	110.1180	0.000	1	110.1180	0.000	1	110.2214	0.240	15	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[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>}	109.7980	0.000	1	109.7980	0.000	1	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[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>}	109.3223	0.233	6	109.3223	0.054	6	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[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>}	110.1000	0.000	1	110.1000	0.000	1	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[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>}	109.6085	0.268	2	109.6085	0.072	2	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5](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[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[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>}	108.9320	0.000	1	108.9320	0.000	1	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[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>}	108.9370	0.000	1	108.9370	0.000	1	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[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>}	109.4220	0.000	1	109.4220	0.000	1	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[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>}	109.3840	0.127	2	109.3840	0.016	2	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[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>}	109.6570	0.000	1	109.7970	0.032	3	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[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>}	109.9990	0.000	1	109.7970	0.032	3	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[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>}	109.7350	0.000	1	109.7970	0.032	3	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[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>}	109.5460	0.000	1	109.5460	0.000	1	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-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]O)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[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>}	110.1870	0.000	1	110.1870	0.000	1	109.5116	0.131	20	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[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>}	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4: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])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[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>}	109.5805	0.176	2	109.5805	0.031	2	109.5805	0.031	2	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,4|C<3>}	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	Se[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](Se[5,5]C[5,6]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](Se[5,5]C[5,6]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	C[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>}	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	110.2171	1.297	67	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,5|C<4>}	C[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>}	109.8380	0.064	2	109.8380	0.004	2	108.9487	2.375	3	108.9205	1.586	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[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>}	107.1700	0.000	1	107.1700	0.000	1	108.9487	2.375	3	108.9205	1.586	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5](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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	108.9205	1.586	4	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5](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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	C[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>}	109.5890	0.000	1	109.5890	0.000	1	109.6116	0.232	5	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5](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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	C[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>}	109.4960	0.000	1	109.4960	0.000	1	109.6116	0.232	5	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5](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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	C[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>}	109.6577	0.673	3	109.6577	0.453	3	109.6116	0.232	5	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[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>}	109.6520	0.000	1	109.5415	0.024	2	109.5415	0.024	2	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[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>}	109.4310	0.000	1	109.5415	0.024	2	109.5415	0.024	2	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[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>}	110.2910	0.000	1	110.2910	0.000	1	110.6810	0.304	2	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[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>}	111.0710	0.000	1	111.0710	0.000	1	110.6810	0.304	2	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[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>}	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[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>}	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,4|H<1>,5|C<3>}	C[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>}	110.2635	0.104	2	110.2635	0.011	2	110.2635	0.011	2	109.8555	0.314	13	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[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>}	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[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>}	109.9750	0.000	1	109.9750	0.000	1	110.0450	0.010	2	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	C[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>}	110.1150	0.000	1	110.1150	0.000	1	110.0450	0.010	2	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[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>}	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[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>}	110.6470	0.000	1	110.6470	0.000	1	110.3885	0.134	2	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	110.1300	0.000	1	110.1300	0.000	1	110.3885	0.134	2	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	110.3130	0.134	3	110.3130	0.018	3	110.4420	0.061	14	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	110.4320	0.093	2	110.4320	0.009	2	110.4420	0.061	14	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[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>}	110.5040	0.000	1	110.5040	0.000	1	110.4420	0.061	14	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[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>}	110.3473	0.266	3	110.3356	0.061	5	110.4420	0.061	14	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[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>}	110.3180	0.318	2	110.3356	0.061	5	110.4420	0.061	14	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	111.0410	0.000	1	110.7343	0.071	3	110.4420	0.061	14	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[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>}	110.5810	0.004	2	110.7343	0.071	3	110.4420	0.061	14	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[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>}	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[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>}	109.9550	0.000	2	109.9550	0.000	2	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[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>}	110.1780	0.000	1	110.1780	0.000	1	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[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>}	109.8810	0.000	1	109.9000	0.097	4	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[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>}	109.7170	0.000	1	109.9000	0.097	4	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[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>}	110.3440	0.000	1	109.9000	0.097	4	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[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>}	109.6580	0.000	1	109.9000	0.097	4	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	110.8890	0.000	1	110.8890	0.000	1	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[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>}	110.1275	0.163	2	110.3873	0.216	3	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[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>}	110.9070	0.000	1	110.3873	0.216	3	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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>}	109.9870	0.000	1	109.9870	0.000	1	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[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>}	110.9860	0.000	1	110.9860	0.000	1	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[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>}	110.2453	0.191	7	110.2453	0.036	7	110.2215	0.140	20	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[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>}	110.7100	0.000	1	110.7100	0.000	1	110.1033	0.163	7	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[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>}	110.1258	0.148	5	110.1258	0.022	5	110.1033	0.163	7	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[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>}	109.3840	0.000	1	109.3840	0.000	1	110.1033	0.163	7	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[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>}	110.0345	0.083	2	110.0345	0.007	2	109.9220	0.029	4	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[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>}	109.8095	0.176	2	109.8095	0.031	2	109.9220	0.029	4	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[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>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[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>}	108.9350	0.465	2	108.9350	0.216	2	109.2270	0.364	3	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[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>}	109.8110	0.000	1	109.8110	0.000	1	109.2270	0.364	3	110.2029	0.221	56	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	5:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	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[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|H<1>,1|O<2>,4|C<3>}	113.0445	0.517	6	113.0445	0.267	6	113.0445	0.267	6	113.0445	0.267	6	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	5:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,5,6]-5:C[5,6a]-3:C[6a]-3:	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[5,6a](P[5,5,6]C[6,6a]2C[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[5,5,6]C[6,6a]2C[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,7|C<3>}	C[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>}	110.6620	0.000	1	110.6620	0.000	1	110.6620	0.000	1	112.4380	1.432	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	5:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	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[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,7|C<3>}	C[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>}	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	112.4380	1.432	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	5:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	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[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[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>}	113.2810	0.000	1	113.2677	0.000	3	113.2677	0.000	3	112.4380	1.432	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	5:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	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[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[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>}	113.2610	0.000	2	113.2677	0.000	3	113.2677	0.000	3	112.4380	1.432	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	5:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	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[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[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>}	112.8885	0.520	2	112.8885	0.270	2	112.8885	0.270	2	112.8885	0.270	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	6:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[3x5]-6:C[5,6a]-3:C[6a]-3:	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[5,6a](P[3x5]C[5,6a]2O[5]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a](P[3x5]C[5,6a]2O[5]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[3x5])(O){1|H<1>,2|O<2>,4|C<3>}	112.7744	0.805	5	112.7744	0.649	5	112.7744	0.649	5	112.7744	0.649	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	6:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	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[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	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>}	117.0865	1.272	2	117.0865	1.618	2	116.7821	1.335	8	116.7821	1.335	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	6:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	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[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](Nb[5,5]C[5,6a]N[5]2ClN)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	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>}	116.2820	0.956	4	116.2820	0.914	4	116.7821	1.335	8	116.7821	1.335	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	6:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	Nb[5,5]-6:C[5,6a]-3:C[5,6a]-3:	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[5,6a](Nb[5,5]C[5,6a]N[5]2NO)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](Nb[5,5]C[5,6a]N[5]2NO)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	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>}	117.4780	1.683	2	117.4780	2.832	2	116.7821	1.335	8	116.7821	1.335	8	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	6:3:3:	5:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	B[5x3,5x5,17x6]-6:C[5,6a]-3:C[6a]-3:	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[5,6a](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|O<1>,4|B<6>,6|H<1>}	C[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>}	113.1400	0.000	1	113.1400	0.000	1	113.1400	0.000	1	113.1400	0.000	1	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	6:3:3:	6:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	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[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](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[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|O<1>,4|B<6>,6|H<1>}	C[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>}	112.9412	1.893	5	112.9412	3.583	5	112.9412	3.583	5	112.9412	3.583	5	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[5]	3:3:3:	7:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	Nb[3,5,5]-7:C[5,6a]-3:C[5,6a]-3:	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[5,6a](Nb[3,5,5]C[5,6a]C[3]H[3]N[5]2N)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])	C[5](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[5,6a](Nb[3,5,5]C[5,6a]C[3]H[3]N[5]2N)(C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	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>}	117.9960	1.848	2	117.9960	3.416	2	117.9960	3.416	2	117.9960	3.416	2	108.7349	3.409	7028	108.6807	8.584	8652
727	727	818	5:SP2_SP2_SP2	C[5,6a]	C[5a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-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[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[6a])	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[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]){9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a,6a]C[6a]){9|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>}	132.9400	0.000	1	132.9400	0.000	1	132.9400	0.000	1	132.9400	0.000	1	132.9400	0.000	1	108.6807	8.584	8652
727	727	818	6:SP2_SP2_SP2	C[5,5a,6]	C[5a,6]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	Se[5,5a]-3:C[5a,6]-3:C[5,6]-3:	C[5,5a,6]-3:C[5a]-3:C[6]-4:	C[5,5a,6]-3:C[6]-4:C[5]-3:	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6])	C[5a,6](C[5,5a,6]Se[5,5a]C[5,6])(C[5a]O[5a]H)(C[6]C[6]HH)	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H)	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6]){1|C<4>,6|H<1>}	C[5a,6](C[5,5a,6]Se[5,5a]C[5,6])(C[5a]O[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	127.5650	0.177	2	127.5650	0.031	2	127.5650	0.031	2	127.5650	0.031	2	127.5650	0.031	2	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|H<1>,1|P<4>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|C<4>,1|P<4>,7|C<3>}	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	121.2137	1.039	14	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	121.5390	0.523	5	121.5390	0.273	5	121.5390	0.273	5	121.2137	1.039	14	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	120.0900	0.000	1	120.0900	0.000	1	120.7143	0.105	6	121.2137	1.039	14	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(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>}	120.8365	0.141	4	120.8365	0.020	4	120.7143	0.105	6	121.2137	1.039	14	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){1|Si<4>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si){1|C<4>,8|C<3>}	120.8500	0.000	1	120.8500	0.000	1	120.7143	0.105	6	121.2137	1.039	14	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	120.1530	0.000	1	120.1530	0.000	1	122.1410	7.904	2	121.2137	1.039	14	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5]){2|N<3>,8|C<3>}	124.1290	0.000	1	124.1290	0.000	1	122.1410	7.904	2	121.2137	1.039	14	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6a]C[6a]C[5])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6a]C[6a]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	119.4955	0.214	2	119.4955	0.046	2	119.4955	0.046	2	119.9710	0.701	3	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	119.9710	0.701	3	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	121.0992	0.149	4	121.0992	0.022	4	121.3713	0.125	8	121.4042	0.490	13	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	121.2790	0.000	1	121.2790	0.000	1	121.3713	0.125	8	121.4042	0.490	13	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	121.7647	0.141	3	121.7647	0.020	3	121.3713	0.125	8	121.4042	0.490	13	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	120.9677	0.259	4	120.9677	0.067	4	120.9677	0.067	4	121.4042	0.490	13	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|H<1>,1|P<4>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	121.4042	0.490	13	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:3:4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|C<4>,2|O<2>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	122.2493	0.192	4	122.2493	0.037	4	122.2493	0.037	4	122.2493	0.037	4	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	123.2000	0.000	1	123.2000	0.000	1	123.2000	0.000	1	123.3335	0.036	2	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	123.4670	0.000	1	123.4670	0.000	1	123.4670	0.000	1	123.3335	0.036	2	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2){5|C<3>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|C<4>,1|P<4>,7|C<3>}	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	121.7230	0.000	1	121.7230	0.000	1	121.7230	0.000	1	122.3140	0.486	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	121.5510	0.135	3	121.5510	0.018	3	122.3879	0.500	8	122.3140	0.486	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	122.7927	0.101	3	122.7927	0.010	3	122.3879	0.500	8	122.3140	0.486	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	123.0360	0.093	2	123.0360	0.009	2	122.3879	0.500	8	122.3140	0.486	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2){4|C<4>,6|C<3>}	120.9950	0.378	2	120.9950	0.143	2	120.9950	0.143	2	120.8891	0.433	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2)	C[5,6,6a](C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2){4|C<4>,6|C<3>}	120.7610	0.000	1	120.7610	0.000	1	120.7610	0.000	1	120.8891	0.433	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	120.8891	0.433	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	121.2645	0.183	2	121.2645	0.034	2	121.2645	0.034	2	120.8891	0.433	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	121.5145	0.053	2	121.5145	0.003	2	121.5145	0.003	2	120.8891	0.433	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2){4|C<4>,6|C<3>}	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	120.8891	0.433	9	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Ru<5>,4|C<4>,5|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<4>,5|C<3>}	121.3975	0.183	4	121.3975	0.034	4	121.3975	0.034	4	121.1041	2.452	7	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	122.6810	0.000	1	122.2050	0.453	2	122.2050	0.453	2	121.1041	2.452	7	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	121.7290	0.000	1	122.2050	0.453	2	122.2050	0.453	2	121.1041	2.452	7	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	3:4:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	117.7290	0.000	1	117.7290	0.000	1	117.7290	0.000	1	121.1041	2.452	7	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	122.9740	0.211	2	122.9740	0.044	2	122.9740	0.044	2	122.9197	0.501	10	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.0510	0.740	7	123.0510	0.547	7	123.0510	0.547	7	122.9197	0.501	10	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	122.9197	0.501	10	121.5851	1.450	75	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6]){7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	120.8425	2.184	2	120.8425	4.771	2	120.9943	2.455	3	120.9943	2.455	3	121.3372	2.107	4	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6]){7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	121.2980	0.000	1	121.2980	0.000	1	120.9943	2.455	3	120.9943	2.455	3	121.3372	2.107	4	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5,6,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6a]C[6,6a]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[6,6]){9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6a]C[6,6a]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	121.3372	2.107	4	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	122.9985	0.156	2	122.9985	0.024	2	122.9985	0.024	2	121.5790	1.127	7	121.3524	0.923	10	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	121.5110	0.000	1	121.4355	0.011	2	121.0112	0.274	5	121.5790	1.127	7	121.3524	0.923	10	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	121.3600	0.000	1	121.4355	0.011	2	121.0112	0.274	5	121.5790	1.127	7	121.3524	0.923	10	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,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[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,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>}	120.9715	0.359	2	120.7283	0.242	3	121.0112	0.274	5	121.5790	1.127	7	121.3524	0.923	10	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,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[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	120.2420	0.000	1	120.7283	0.242	3	121.0112	0.274	5	121.5790	1.127	7	121.3524	0.923	10	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	121.3524	0.923	10	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5a,6,6]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5a,6,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6,6]C[5,5,6,6]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,6|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6,6a])(C[5a,6,6]C[5,5,6,6]C[5a,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	121.2760	0.000	1	121.2760	0.000	1	121.2760	0.000	1	120.8650	0.338	2	121.3524	0.923	10	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,6|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	120.4540	0.000	1	120.4540	0.000	1	120.4540	0.000	1	120.8650	0.338	2	121.3524	0.923	10	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6])	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]){7|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	120.8560	0.000	1	120.8560	0.000	1	120.8560	0.000	1	120.8560	0.000	1	120.9037	0.518	3	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:N[5a,6a]-3:C[5a,6]-3:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5])	C[5a,6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a,6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,6|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	120.2090	0.000	1	120.2090	0.000	1	120.2090	0.000	1	120.2090	0.000	1	120.9037	0.518	3	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5,6,6a]	C[5a,6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,5,6,6]C[5a,6,6a])(C[5,6]C[5,6]C[6,6])	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,5,6,6]C[5a,6,6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,3|C<4>,6|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,6|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	121.6460	0.000	1	121.6460	0.000	1	121.6460	0.000	1	121.6460	0.000	1	120.9037	0.518	3	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6,6]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5a,6,6]-3:C[5a,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5a,6,6]-3:	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5a,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5a,6,6]C[5a,6,6a]2)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	C[5a,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5a,6,6]C[5a,6,6a]2){1|H<1>,8|C<3>}	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	120.4645	1.145	2	120.4645	1.145	2	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6,6]	C[5a,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[5,6,6]-3:	C[5a,6a,6a]-3:C[5a,6,6]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5a,6,6]-3:	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5a,6,6]C[5a,6,6a]2)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5a,6,6]C[5a,6,6a]2){1|H<1>,8|C<3>}	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	120.4645	1.145	2	120.4645	1.145	2	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6,6]	3:3:3:	3:3:2:	4:3:4:	C[5a,6a]-3:C[5,6,6]-3:C[5a,6]-3:	C[5a,6]-3:C[3x6]-3:S[5a]-2:	C[5,6,6]-4:C[5a,6]-3:C[5,6]-4:	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a])	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a])	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a]){1|H<1>,3|C<3>,6|C<4>}	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a]){1|H<1>,2|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H){1|Cl<1>,1|S<2>,2|C<4>,3|C<3>,7|H<1>}	113.6600	0.000	1	113.6600	0.000	1	113.6600	0.000	1	113.6600	0.000	1	113.6600	0.000	1	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:2:	3:3:2:	3:4:2:	C[5a,6]-3:C[5,6]-3:N[5a]-2:	C[5a,6]-3:C[5,6]-3:S[5a]-2:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,2|S<2>,3|C<3>}	119.3720	0.000	1	119.3720	0.000	1	119.3720	0.000	1	120.7045	3.551	2	120.5787	4.431	12	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:2:	3:3:2:	3:4:2:	C[5a,6]-3:C[5,6]-3:S[5a]-2:	C[5a,6]-3:C[5,6]-3:N[5a]-2:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	122.0370	0.000	1	122.0370	0.000	1	122.0370	0.000	1	120.7045	3.551	2	120.5787	4.431	12	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:2:	3:3:4:	3:4:2:	C[5,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5a,6](C[5,6]C[5,6]N[5])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5])	C[5a,6](C[5,6]C[5,6]N[5])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.2760	0.000	1	121.2760	0.000	1	121.2760	0.000	1	121.2760	0.000	1	120.5787	4.431	12	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5,6]-3:C[5a,6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6])	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6])	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6]){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H){1|N<2>,1|O<2>,2|F<1>,4|C<3>}	122.3300	1.718	2	122.3300	2.952	2	122.3300	2.952	2	122.3300	2.952	2	120.5787	4.431	12	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[6,6]-3:C[5a,6]-3:N[5a]-3:	C[5,6]-3:C[5a,6]-3:S[5]-4:	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H)	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni)	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO)	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H){1|Ni<4>,1|P<4>,2|O<1>,4|C<3>}	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	120.8880	0.983	2	120.8880	0.966	2	120.8880	0.966	2	120.8880	0.966	2	120.5787	4.431	12	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[5,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.4310	0.153	2	122.4310	0.023	2	122.4310	0.023	2	122.4310	0.023	2	120.5787	4.431	12	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	C[5,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5a,6](C[5,6]C[5,6]C[5])(C[5a,6]C[5a]C[6])(C[5a]O[5a]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]H)(C[6]C[6]HH)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5a,6](C[5,6]C[5,6]C[5])(C[5a,6]C[5a]C[6])(C[5a]O[5a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]H)(C[6]C[6]HH){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	120.5787	4.431	12	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5])	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	116.5370	0.000	1	116.5370	0.000	1	116.5370	0.000	1	116.5370	0.000	1	120.5787	4.431	12	121.4415	2.980	109
727	727	818	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[5,6]	3:3:3:	3:4:3:	3:3:4:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]S[5]C)(C[5a]S[5a]C)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C){1|S<4>,2|F<1>,5|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]S[5]C)(C[5a]S[5a]C){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	118.2660	0.000	1	118.2660	0.000	1	118.2660	0.000	1	118.2660	0.000	1	120.5787	4.431	12	121.4415	2.980	109